G813-0277 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-[(3-fluorophenyl)methyl]acetamide

G813-0277 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-[(3-fluorophenyl)methyl]acetamide
G813-0277 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-[(3-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G813-0277
2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-[(3-fluorophenyl)methyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G813-0277

Molecular Formula

C22H25FN4OS (C22 H25 FN4 OS)

Compound Name

2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-[(3-fluorophenyl)methyl]acetamide

IUPAC name

2-[({3-cyclohexyl-3H-imidazo[45-b]pyridin-2-yl}methyl)sulfanyl]-N-[(3-fluorophenyl)methyl]acetamide

SMILES

O=C(CSCc(n1C2CCCCC2)nc2c1nccc2)NCc1cc(F)ccc1

InChI

InChI=1S/C22H25FN4OS/c23-17-7-4-6-16(12-17)13-25-21(28)15-29-14-20-26-19-10-5-11-24-22(19)27(20)18-8-2-1-3-9-18/h4-7,10-12,18H,1-3,8-9,13-15H2,(H,25,28)

InChI Key

UWIULWAJNDDUNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.32

Polar Surface Area

45.826

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G813-0277 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G813-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G813-0277?
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What is the minimum amount of G813-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G813-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G813-0277
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G813-0277 available by request