Chemspace Covalent Modifiers Description Compounds that possess - - PowerPoint PPT Presentation

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chemspace covalent modifiers description
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Chemspace Covalent Modifiers Description Compounds that possess - - PowerPoint PPT Presentation

Mar 21, 2023 50 likes •122 views

Chemspace Covalent Modifiers Description Compounds that possess moieties able to react with biological molecules in the cell have been overlooked in drug discovery research projects for a long time. Character of the investigation did not allow

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Chemspace Covalent Modifiers

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Description

Compounds that possess moieties able to react with biological molecules in the cell have been overlooked in drug discovery research projects for a long time. Character of the investigation did not allow to suppose direct binding between the target and the agent. Covalent modifiers have a scaffold capable of accommodating a reaction moiety, otherwise known as the warhead, which improves the binding affinity and selectivity by forming a covalent interaction with a protein reactive residue. Now molecules with covalent warheads attract researchers’ attention as possible antiviral, antibacterial and anticancer agents.

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Selection

Library size: 71 396 in-stock compounds 243 273 make-on-demand compounds

You can order full set or selected subset based on your criteria; all compounds are supplied as powders, solutions, or dry films. Please contact us at sales@chem-space.com for more information.

We have selected a library from the Chemspace Selected Screening set: each compound contains possible covalent binder. Warheads include alkyl thiols, oxetane rings, sulfonyl halides, Michael acceptors, etc.

Please discover our Covalent Fragments – set

  • f

small molecules with covalent warheads.

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PhyChem properties

10 20 30 40 50 15 18 21 24 27 30 % of compounds

Heavy Atoms

10 20 30 40 50 20 40 60 80 100 120 140 % of compounds

TPSA

5 10 15 20 25 30 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 % of compounds

Fsp3

5 10 15 20 25 30 35 1 2 3 4 5 6 7 8 9 10 % of compounds

Rotatable Bonds

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Chemspace Compound sets

  • Fluorine and Heavy Fragments
  • Selected Fragments
  • Singleton Fragments
  • Saturated and Spiro Fragments
  • General Fragments
  • 3D-Shaped Fragments
  • Acid and Amine Fragments
  • Covalent Fragments

Discover our Fragment Libraries:

All libraries’ names are clickable links. Visit www.chem-space.com/flyers to find more Chemspace presentations!

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  • High QED compounds
  • Phenotypic Screening set
  • PPI Modulators
  • Pre-Plated compounds
  • RNA-Targeted library
  • Virtual Screening set

Discover our Screening compounds: Chemspace Compound sets

  • ChEMBL analogs
  • CNS-Focused library
  • Covalent Modifiers
  • Drug Impurities
  • Drug Repurposing
  • Framework-Derived set

All libraries’ names are clickable links. Visit www.chem-space.com/flyers to find more Chemspace presentations!

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Thank You!

The Chemspace Team