G813-0102 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-(3-phenylpropyl)acetamide

G813-0102 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-(3-phenylpropyl)acetamide
G813-0102 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G813-0102
2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-(3-phenylpropyl)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

G813-0102

Molecular Formula

C24H30N4OS (C24 H30 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSCc(n1C2CCCCC2)nc2c1nccc2)NCCCc1ccccc1

InChI

InChI=1S/C24H30N4OS/c29-23(25-15-7-11-19-9-3-1-4-10-19)18-30-17-22-27-21-14-8-16-26-24(21)28(22)20-12-5-2-6-13-20/h1,3-4,8-10,14,16,20H,2,5-7,11-13,15,17-18H2,(H,25,29)

InChI Key

KCJFXKYMZSTPME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.811

Water Solubility, LogSw

-4.70

Polar Surface Area

45.668

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G813-0102 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G813-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G813-0102?
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What is the minimum amount of G813-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G813-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G813-0102
  • 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 G813-0102 available by request