F595-0042 Screening compound: 3-{[(2-chlorophenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

F595-0042 Screening compound: 3-{[(2-chlorophenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole
F595-0042 Screening compound: 3-{[(2-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 F595-0042
3-{[(2-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

F595-0042

Molecular Formula

C17H15ClN4S (C17 H15 ClN4 S)

Compound Name

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

IUPAC name

3-{[(2-chlorophenyl)methyl]sulfanyl}-7-phenyl-5H6H7H-imidazo[21-c][124]triazole

SMILES

Clc1c(CSc(n2CC3)nnc2N3c2ccccc2)cccc1

InChI

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

InChI Key

KFSGMRMRMVEVSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537836

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

4.477

Distribution Coefficient, logD

4.462

Water Solubility, LogSw

-4.56

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

F595-0042 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F595-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0042?
Check Price and Availability of F595-0042, 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 F595-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0042
  • 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 F595-0042 available by request