C797-0643 Screening compound: 4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoic acid

C797-0643 Screening compound: 4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoic acid
C797-0643 Screening compound: 4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0643
4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoic acid

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

C797-0643

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzoic acid

IUPAC name

4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]benzoic acid

SMILES

Cc1c(Cn2c(SCc(cc3)ccc3C(O)=O)nc3c2cncc3)cccc1

InChI

InChI=1S/C22H19N3O2S/c1-15-4-2-3-5-18(15)13-25-20-12-23-11-10-19(20)24-22(25)28-14-16-6-8-17(9-7-16)21(26)27/h2-12H,13-14H2,1H3,(H,26,27)

InChI Key

ZQKPJBJRJMGNIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.168

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-4.58

Polar Surface Area

48.403

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C797-0643 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Nucleic Acid Ligands (8311 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0643?
Check Price and Availability of C797-0643, 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 C797-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0643
  • 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 C797-0643 available by request