F595-0040 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

F595-0040 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole
F595-0040 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0040
3-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

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

F595-0040

Molecular Formula

C17H15ClN4S (C17 H15 ClN4 S)

Compound Name

3-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

IUPAC name

3-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl-5H6H7H-imidazo[21-c][124]triazole

SMILES

Clc1ccc(CSc(n2CC3)nnc2N3c2ccccc2)cc1

InChI

InChI=1S/C17H15ClN4S/c18-14-8-6-13(7-9-14)12-23-17-20-19-16-21(10-11-22(16)17)15-4-2-1-3-5-15/h1-9H,10-12H2

InChI Key

IZQKKRRSJHIHFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.50

Polar Surface Area

26.722

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

F595-0040 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 F595-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0040?
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What is the minimum amount of F595-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0040
  • 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 F595-0040 available by request