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Building Block Catalogue

225 Thousand compounds in stock

Original and unique

Make-on-demand
Building Blocks

210 Million novel building blocks

Reliable supply

Custom Synthesis

Over 650 highly skillful chemists

Unique synthesis technologies

Library Synthesis

14 Billion REAL compounds and

Custom Library Synthesis

FTE Chemistry Support

On site access to all Enamine stock BB’s

Highly flexible arrangements

2 000 new building blocks are synthesized monthly. Here is an important update to our MedChem Highlights from July 2020

Recent News

  • 15 April 2020   Press Releases

    Enamine and Chemspace collaborate with Blue Dolphin Lead ...

    Today Enamine, a leading provider of small molecules and drug discovery services, Chemspace, an online catalog with the largest offer of small molecules to search and buy, and Blue Dolphin Lead Discovery, a research organization focused on a fee-for-service virtual screening, announced the launch of the collaboration to support drug discovery projects.

    Read press release

  • 30 March 2020   News

    Let’s fight COVID-19 together

    An international group of scientists from academia and industry, including Enamine, is trying to help combat COVID-19. This effort began when Chinese scientists worked rapidly to determine the structure of the novel SARS‑CoV‑2 main protease (Mpro), which triggered a massive crystal-based fragment screen at the XChem facility at UK’s Diamond Light Source. For more details, please visit https://www.diamond.ac.uk/covid-19. With the same urgency, the scientists are now trying to progress these data towards what is desperately needed: effective, easy-to-make anti-COVID drugs https://covid.postera.ai/covid.

  • 11 March 2020   Press Releases

    Enamine to be the exclusive supplier of Astex’ MiniFrag ...

    Enamine Ltd. and Astex Pharmaceuticals (UK) have cooperated to provide wide access to Astex’ MiniFrag library, an efficient Fragment-based Drug Discovery tool for identification of hot and warm spots of protein targets. The Library is readily available from Enamine in any suitable format, including dry samples or assay-ready high concentration (1M, 100mM) aqueous soaks in containers of preferred type. The detected MiniFrag hits can be followed-up with a wide range of stock available and synthetically feasible derivatives as well as with building blocks for introduction of the relevant structural features for lead optimization.

    Read press release

Upcoming events

3D Pharmacophore Diversity Set

Ro5 compliant 3D Pharmacophoric Diversity Set

4 800 compounds

3D-Pharmacophore Diversity set (3DS) was designed for optimal coverage of pharmacophoric shapes maintaining high level of diversity. 3DS library will be a useful tool for screening against a wide range of both validated and novel biological targets. Carefully developed selection algorithm ensures quality of initial hits enabling fast hit follow-up using stock-available analogs and validated synthetic chemistry protocols.

Library design

Wide range of filtering methods was used for selection of drug-like compounds with maximum 3D-pharmacophore coverage and uniform distribution:

  • Combination of cheminformatics protocols to provide the rational distribution in chemical space: bCUT descriptors, cell-based diversity analysis in 2D and 3D plots, both h-s and h-suppressed binary descriptors were used.
  • Strict filtering using 3D structure-based analysis. Only centroid molecules were selected for further processing with 3-point pharmacophore comparative analysis.
  • 2Dprop analysis (ClogP, logS tPSA, HBD, HBA, rotatable bonds count, ring number), PMI and fingerprint-based diversity (linear fingerprints).

Spatial representation of compounds distribution in 3D chemical space based on a set of 2D properties, PCA approach.

PMI plot demonstrates good distribution of selected compounds subset by molecular shape (diversity set represented as light green circles).

 

Example of 3D-pharmacophore with spatial constraints.

Pharmacophore space with each unique 3-point pharmacophore was generated based on 3D pharmacophore descriptors and represents potential interaction map between compound and biological target.

The following molecular features were used to create 3-point pharmacophores: H-bond donors, H-bond acceptors, positively charged centers, negative charges and hydrophobic areas (pharmacophore graph with triangle fingerprints).

Examples of the molecules

Library formats

Item
Catalog #
# of cpds
Amount
Format

Item

1

Catalog #

3DS-Y-0

# of cpds

4 800

Amount

Assay-ready plates,
≤ 2 µL of 10 mM
DMSO solution

Plates and format

384-well plates, 320 cpds per plate:
first two and last two columns empty

Item

2

Catalog #

3DS-Z-0

# of cpds

4 800

Amount

Assay-ready plates,
≤ 2 µL of 10 mM
DMSO solution

Plates and format

1536-well plates, 1280 cpds per plate:
first two and last two columns empty

Item

3

Catalog #

3DS-Y-50

# of cpds

4 800

Amount

50 µL of 10 mM
DMSO solution

Plates and format

384-well plates, 320 cpds/per plate:
first two and last two columns empty

Item

4

Catalog #

3DS-X-100

# of cpds

4 800

Amount

100 µL of 10 mM
DMSO solution

Plates and format

96-well plates, 80 cpds/per plate:
first and last columns empty

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