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Covalent Fragment Library

Diverse covalent warheads with balanced reactivity

7 887 compounds

Covalent chemical probes have become a hot topic in drug discovery within last few years. The impressive number of successful applications in protein drugability assessment and in investigation of enzymes functions brought aspiration to discovery of new covalent modifiers. However, further progress in this area is limited by availability of new covalent fragments with new structures and balanced molecular properties.

To address this issue we elaborated parallel chemistry approaches to synthesize a number of new covalent fragments with different covalent warheads. The acquired knowledge on stability and selectivity were applied to design and format our unique Covalent Fragment Library, now available in convenient pre-plated formats. The library comprises recently synthesized compounds with use of latest building blocks, as well as preferred chemotypes and structural moieties, which can be also applied as chemical probes. Through the library design process, the special attention was paid for a right balance between reactivity and selectivity.

Common pre-plated library formats available for immediate supply

Item
Catalog ID
Compounds №
Amount
Plates and formats

Item

1

Catalog ID

CFL-Y/Z-0

Compounds №

7 887

Amount

Assay-ready, ≤ 1 µL of 10mM DMSO solutions

Plates and formats

384-well or 1536-well eco-qualified assay-ready microplates, Greiner/Labcyte

Item

2

Catalog ID

CFL-X/Y-10

Compounds №

7 887

Amount

10 µL of 100 mM DMSO stock solutions

Plates and formats

384-well or 96-well eco-compatible plates, Greiner/Labcyte

Item

3

Catalog ID

CFL-X/Y-50

Compounds №

7 887

Amount

50 µL of 100 mM DMSO stock solutions

Plates and formats

384-well or 96-well eco-compatible plates Greiner/Labcyte

*X - 96-well plate
*Y - 384-well plate
*Z - 1536-well plate

Key features

  • Each warhead has been evaluated with experimentally confirmed reactivity reported in the literature.
  • Compatible with slightly extended Ro3 criteria
  • Molecules with highly reactive moieties (non-selective binders), as well as compounds derived from trivial or non-drug like cores were removed
  • Acrylamide Fragments – 1 920 compounds
  • Alkyl chlorides – 365 compounds
  • Chloroacetamides – 960 compounds
  • Sulfonyl Fluorides – 320 compounds
  • Activated nitriles – 925 compounds
  • Vinyl sulfones – 230 compounds
  • Boronic Acid Fragments – 640 compounds
  • Epoxide Fragments – 155 compounds
  • Β-Lactames, lactones – 625 compounds
  • Carbamates activated – 90 compounds

Examples of the molecules

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