F595-0061 Screening compound: 7-(4-fluorophenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

F595-0061 Screening compound: 7-(4-fluorophenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole
F595-0061 Screening compound: 7-(4-fluorophenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0061
7-(4-fluorophenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-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

F595-0061

Molecular Formula

C18H17FN4S (C18 H17 FN4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CSc(n2CC3)nnc2N3c(cc2)ccc2F)c1

InChI

InChI=1S/C18H17FN4S/c1-13-3-2-4-14(11-13)12-24-18-21-20-17-22(9-10-23(17)18)16-7-5-15(19)6-8-16/h2-8,11H,9-10,12H2,1H3

InChI Key

AUXYEXBNTPUJKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

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

4.616

Distribution Coefficient, logD

4.601

Water Solubility, LogSw

-4.41

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

22.20

F595-0061 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 F595-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0061?
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What is the minimum amount of F595-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0061
  • 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 F595-0061 available by request