G813-0041 Screening compound: N-[(3-chlorophenyl)methyl]-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]acetamide

G813-0041 Screening compound: N-[(3-chlorophenyl)methyl]-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]acetamide
G813-0041 Screening compound: N-[(3-chlorophenyl)methyl]-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G813-0041
N-[(3-chlorophenyl)methyl]-2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]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

G813-0041

Molecular Formula

C22H25ClN4OS (C22 H25 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSCc(n1C2CCCCC2)nc2c1nccc2)NCc1cccc(Cl)c1

InChI

InChI=1S/C22H25ClN4OS/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

PCOAUNLXGFYPIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.99

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

4.757

Distribution Coefficient, logD

4.757

Water Solubility, LogSw

-4.88

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

G813-0041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 G813-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G813-0041?
Check Price and Availability of G813-0041, 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 G813-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G813-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G813-0041
  • 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 G813-0041 available by request