G813-0098 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

G813-0098 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
G813-0098 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G813-0098
2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-[(4-methoxyphenyl)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

G813-0098

Molecular Formula

C23H28N4O2S (C23 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(CSCc(n2C3CCCCC3)nc3c2nccc3)=O)cc1

InChI

InChI=1S/C23H28N4O2S/c1-29-19-11-9-17(10-12-19)14-25-22(28)16-30-15-21-26-20-8-5-13-24-23(20)27(21)18-6-3-2-4-7-18/h5,8-13,18H,2-4,6-7,14-16H2,1H3,(H,25,28)

InChI Key

KRXRTJZICFPEQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.042

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-4.06

Polar Surface Area

53.370

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

G813-0098 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 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 G813-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G813-0098?
Check Price and Availability of G813-0098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G813-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G813-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G813-0098
  • 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 G813-0098 available by request