G813-0262 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

G813-0262 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide
G813-0262 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G813-0262
2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-{[4-(dimethylamino)phenyl]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

G813-0262

Molecular Formula

C24H31N5OS (C24 H31 N5 OS)

Compound Name

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

IUPAC name

2-[({3-cyclohexyl-3H-imidazo[45-b]pyridin-2-yl}methyl)sulfanyl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

SMILES

CN(C)c1ccc(CNC(CSCc(n2C3CCCCC3)nc3c2nccc3)=O)cc1

InChI

InChI=1S/C24H31N5OS/c1-28(2)19-12-10-18(11-13-19)15-26-23(30)17-31-16-22-27-21-9-6-14-25-24(21)29(22)20-7-4-3-5-8-20/h6,9-14,20H,3-5,7-8,15-17H2,1-2H3,(H,26,30)

InChI Key

VPXCZUCJZHPUQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.05

Polar Surface Area

48.631

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G813-0262 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G813-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G813-0262?
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What is the minimum amount of G813-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G813-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G813-0262
  • 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 G813-0262 available by request