F595-0086 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

F595-0086 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole
F595-0086 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0086
3-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-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

F595-0086

Molecular Formula

C17H14ClFN4S (C17 H14 ClFN4 S)

Compound Name

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

IUPAC name

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

SMILES

Fc(cc1)ccc1N(CCn12)c2nnc1SCc(cc1)ccc1Cl

InChI

InChI=1S/C17H14ClFN4S/c18-13-3-1-12(2-4-13)11-24-17-21-20-16-22(9-10-23(16)17)15-7-5-14(19)6-8-15/h1-8H,9-11H2

InChI Key

QYJKQHZJFQCYIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.84

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

4.286

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.54

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

F595-0086 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 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 F595-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0086?
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What is the minimum amount of F595-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0086
  • 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 F595-0086 available by request