C797-1112 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine

C797-1112 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine
C797-1112 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1112
2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine

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

C797-1112

Molecular Formula

C13H10ClN3S (C13 H10 ClN3 S)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridine

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridine

SMILES

Clc1c(CSc([nH]2)nc3c2nccc3)cccc1

InChI

InChI=1S/C13H10ClN3S/c14-10-5-2-1-4-9(10)8-18-13-16-11-6-3-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17)

InChI Key

XHVXHCNZEIWUQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.51

Polar Surface Area

28.354

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C797-1112 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1112?
Check Price and Availability of C797-1112, 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 C797-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1112
  • 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 C797-1112 available by request