G813-0001 Screening compound: N-benzyl-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-methylacetamide

G813-0001 Screening compound: N-benzyl-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-methylacetamide
G813-0001 Screening compound: N-benzyl-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G813-0001
N-benzyl-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-N-methylacetamide

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

G813-0001

Molecular Formula

C23H28N4OS (C23 H28 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(CSCc(n1C2CCCCC2)nc2c1nccc2)=O

InChI

InChI=1S/C23H28N4OS/c1-26(15-18-9-4-2-5-10-18)22(28)17-29-16-21-25-20-13-8-14-24-23(20)27(21)19-11-6-3-7-12-19/h2,4-5,8-10,13-14,19H,3,6-7,11-12,15-17H2,1H3

InChI Key

CCXCCOSDHDZMDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.25

Polar Surface Area

37.249

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

G813-0001 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G813-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G813-0001?
Check Price and Availability of G813-0001, 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 G813-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G813-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G813-0001
  • 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 G813-0001 available by request