8011-6953 Screening compound: 2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridine

8011-6953 Screening compound: 2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridine
8011-6953 Screening compound: 2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6953
2-({[3-(trifluoromethyl)phenyl]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

8011-6953

Molecular Formula

C14H10F3N3S (C14 H10 F3 N3 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1cccc(CSc([nH]2)nc3c2nccc3)c1)(F)F

InChI

InChI=1S/C14H10F3N3S/c15-14(16,17)10-4-1-3-9(7-10)8-21-13-19-11-5-2-6-18-12(11)20-13/h1-7H,8H2,(H,18,19,20)

InChI Key

XYLQQZVPHLEHCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02188356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.63

Polar Surface Area

28.354

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8011-6953 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-6953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6953?
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What is the minimum amount of 8011-6953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6953
  • 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 8011-6953 available by request