C797-1344 Screening compound: 4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoic acid

C797-1344 Screening compound: 4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoic acid
C797-1344 Screening compound: 4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1344
4-[({3-[(3-methylphenyl)methyl]-3H-imidazo[4,5-b]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

C797-1344

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(Cn2c(SCc(cc3)ccc3C(O)=O)nc3c2nccc3)c1

InChI

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

InChI Key

KJMBGIUTUVRIPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798640

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

5.023

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-4.45

Polar Surface Area

48.792

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C797-1344 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • 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 C797-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1344?
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What is the minimum amount of C797-1344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1344
  • 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 C797-1344 available by request