The world-largest and most diverse
50 272 compounds
Since 2000s, when the “Escape from Flatland” concept implying increase of saturation degree (Fsp3) and presence of chiral centers was introduced, numerous medicinal chemistry projects involving design and screening of sp3-enriched structures have appeared.
sp3 rich Fragments have been selected from Enamine Screening & Building Blocks Collections by applying strict Ro3 criteria, with Fsp3 cutoff at 0.47, and standard industry affiliated filters including PAINS. The final set of compounds has been evaluated to exclude simple reagents and trivial chemotypes resulting in a library of over 50 272 small molecules available for cherry-picking. Since the fragments with aromatic moieties are believed to demonstrate improved hit rate in screening, the set was enriched with compounds having the optimal Fsp3 values (0.47–0.75).
Novelty, high chemical and structural diversity of Enamine's sp3 rich fragments will make more efficient any search of new ligands for challenging targets.
Examples of the molecules
73 187 compounds
Enamine Premium Collection contains 73 187 compounds having most favorable physicochemical properties (high Fsp3, low LogP and MW). They have been synthesized in our lead-oriented synthesis program. Remarkable success achieved by Enamine in synthesizing novel lead-like compound libraries is explained by usage of robust and sustainable chemical methodology which concept is based on development of the building block inventory. While designing new molecular scaffolds we not only address the issue of physicochemical properties and pharmacophore composition of the derived compounds but also the cost factor related to follow-up of the found hits. Owing to the high degree of chemistry validation and availability of the analogous building blocks from our catalog the hit-to-lead process runs fast and smoothly.
Examples of compounds from Premium collection
1 767 480 compounds
Enamine HTS Collection contains 1 767 480 diverse screening compounds. The collection encompasses versatile chemotypes developed within a couple of decades of chemical research at Enamine and its partner academic organizations. These compounds frequently have unusual structures and unique properties. The collection is particularly recommended for the researchers looking for most diverse screening set.
Examples of compounds from HTS collection
Z838844620
MW 399.2
cLogP 0.53
Z56866051
MW 378.3
cLogP 4.84
Z55436465
MW 449.5
cLogP -1.87
906 173 compounds
Enamine Advanced Collection contains 906 173 compounds that have lead-like properties with MW ≤ 350, cLogP ≤ 3, and rotB ≤ 7 and/or valuable pharmacophores such carboxylic, primary amino and amide groups. This part of Enamine’s screening collection has been recognized as an important source of compounds for targeted library design. Multiple functional groups and lead-like properties of the compounds make sets selected from Advanced collection an ultimate tool for lead discovery. All compounds are checked with our in-house medchem filters.
Examples of compounds from Advanced collection
Z1002252374
MW 339.4
cLogP 1.89
Z1003149082
MW 340.4
cLogP 1.89
Z1003496548
MW 345.3
cLogP 2.65
The world’s largest
4 705 635 compounds
Screening compounds are a critical element in our mission of expanding the chemical space available for Drug Discovery. Synthesized in our labs, they are the first samples of billions of compounds that we can make. Each of them can give rise to thousands of analogs, making the navigation of Drug Discovery projects with our compounds confident and comfortable.
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US Stock, 2-3 days delivery in the USA
2 497 195 compounds for cherry-picking
Fast track to Enamine compounds
- Pre-plated Compound Libraries
DMSO solutions offered as whole sets (no cherry-picking of compounds). - Liquid Stock Collection (UA): 851 500 compounds
DMSO solutions offered for cherry-picking of compounds. - Liquid Stock Collection (USA): 2 497 195 compounds
DMSO solutions offered for cherry-picking of compounds.
We offer a wide range of Compound Libraries already plated as DMSO solutions for fast delivery. Screening them, you can obtain a decent number of quality hits. The libraries are sold as complete sets of compounds. If you’re looking for a specific screening library design, you can cherry-pick from our Liquid Stock Collection (LSC). Enamine LSC is available from facilities in both Ukraine and the United States. LSC US is powered by the Verso XL system (Hamilton Storage), ensuring high-throughput, automated sample management and reliable inventory control. This collection currently contains over 2.3 million compounds, featuring representatives from our pre-plated Libraries.
Compound Collection Enhancement
The outstanding diversity of our collection ensures efficient coverage of the entire chemical space of commercially available screening compounds. Enamine compounds represent at least half of the compounds selected in a typical compound collection enhancement program. We produce ca. 225 000 new compounds each year, leveraging our REAL Compound concept empowered with the latest Building Blocks synthesized by our chemists. This makes our collection always fresh and worth revisiting on a regular basis.
Selecting the right compounds for your project
Our Medicinal & Computational Chemistry team will be happy to advise on the most appropriate screening deck for your hit-finding strategy based on the character of your target, assay requirements, known ligands and any other parameters.
Compound Management
Proper storage of compounds and their solutions is essential for the library life cycle and quality of initial hits. With in-depth expertise in compound management, liquid handling and logistics, we can organize your workflow in the most professional way.
EnamineStore.com
Our web shop hosts the entire Screening Collection and allows searching the compounds using the text, substructure, and similarity queries.
Compound sourcing
Acquisition of screening compounds from multiple vendors provides challenges in compound and data management and takes a lot of administration costs. Our exclusive sourcing partner Chemspace can supply you with a single shipment of compounds in your preferred format, accompanied by a flawless Structure Data File (sdf).
Stock and Composition
Most of our compounds are stored as neat samples (typically 50-150 mg) in glass vials to ensure maximum shelf life and support diverse supply options (Dry Stock). In addition, a growing number of compounds are also available as 10 mM DMSO solutions from our Liquid Stock. They are stored in 2D-barcoded tubes, which allows cherry-picking by tubes, not compromising the quality of the remaining frozen solutions by unnecessary freeze-thaw cycles.
Structure-wise Screening Collection consists of 5 non-overlapping parts. While HTS, Legacy, Advanced, and Premium Collections can be widely recommended for most HTS programs, Functional Collection contains compounds mostly designed for specific applications.
Compounds synthesized within a broad timeframe at Enamine. Diverse chemotypes. Most extensive collection, popular for numerous HTS programs.
Cost indication: $$
Download molecular profile (pdf) | Download sdf
A joint collection of Enamine and UORSY. Scientific heritage structures with unusual chemotypes. Frequently overlooked compounds.
Cost indication: $
Download molecular profile (pdf) | Download sdf
Compounds synthesized only within the last 3 years absorbing new trends in medicinal chemistry designs.
Cost indication: $$$
Download molecular profile (pdf) | Download sdf
Outstanding structural quality compounds synthesized within the last 3 years.
Cost indication: $$$$
Download molecular profile (pdf) | Download sdf
Covalent binders, photoaffinity compounds, macrocycles, dyes, reference standards, impurity standards, biologically active compounds, PROTACs, molecular glues, markers, unusual fragments.
Cost indication: variable
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Availability, Packaging, Quality Control
The compounds are available in multi-milligram amounts, typically 50-150 mg, sufficient for a fast re-supply of the hits. The samples are mainly stored as dry powders and can be supplied either neat or as DMSO solutions in virtually any applicable format. There is also an opportunity to keep your library at Enamine and have its copies delivered on demand to the screening labs of your choice.
All Enamine compounds undergo rigorous quality control with LCMS and/or 1H NMR to meet the standard of at least 90% purity. Highly pure samples (95%, 97%) can be obtained via additional HPLC purification at an extra charge. We can also run additional bespoke analytics on demand, including 13C, 19F, 31P, 2D, and 3D NMR experiments.
Selected publications
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Overlap of On-demand Ultra-large Combinatorial Spaces with On-the-shelf Drug-like Libraries.
Perebyinis M., Rognan D. Molecular Informatics 2022, e2200163. DOI: 10.1002/minf.202200163 -
Identification and validation of potent Mycobacterial proteasome inhibitor from Enamine library.
Tyagi R., Srivastava M., Singh B. et al. J Biomol Struct Dyn. 2021, 1-11. DOI: 10.1080/07391102.2021.1914173 -
Evolution of commercially available compounds for HTS.
Volochnyuk D., Ryabukhin S. et al. Drug Discov Today. 2019, 24 (2), 390-402. DOI: 10.1016/j.drudis.2018.10.016 -
Development and implementation of a cell-based assay to discover agonists of the nuclear receptor REV-ERBα.
Hering Y., Berthier A., Duez H. et al. J Biol Methods 2018, 5 (3), e94. DOI: 10.14440/jbm.2018.244 -
Identification of novel small molecules that inhibit STAT3-dependent transcription and function.
Kolosenko I., Yasmin Yu, Busker S. et al. PLoS One. 2017, 12 (6), e0178844. DOI: 10.1371/journal.pone.0178844