Screening Collection

The world’s largest

4 273 694 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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Screening Collections

All Screening Collections, 4 273 694 compounds in stock

Liquid Stock Collection

836 599 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: 836 599 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 do cherry-picking from our Liquid Stock Collection. This collection currently contains over 300 thousand 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).

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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.

 

HTS Collection: 1 367 905 compounds

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

Legacy Collection: 1 760 432 compounds

A joint collection of Enamine and UORSY. Scientific heritage structures with unusual chemotypes. Frequently overlooked compounds.

 

Cost indication: $

Download molecular profile (pdf) | Download sdf

Advanced Collection: 898 648 compounds

Compounds synthesized only within the last 3 years absorbing new trends in medicinal chemistry designs.

 

Cost indication: $$$

Download molecular profile (pdf) | Download sdf

Premium Collection: 61 612 compounds

Outstanding structural quality compounds synthesized within the last 3 years.

 

Cost indication: $$$$

Download molecular profile (pdf) | Download sdf

Functional Collection: 185 097 compounds

Covalent binders, photoaffinity compounds, macrocycles, dyes, reference standards, impurity standards, biologically active compounds, PROTACs, molecular glues, markers, unusual fragments.

 

Cost indication: variable

Download sdf

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

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

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