F595-0014 Screening compound: 3-{[(2-methylphenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

F595-0014 Screening compound: 3-{[(2-methylphenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole
F595-0014 Screening compound: 3-{[(2-methylphenyl)methyl]sulfanyl}-7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0014
3-{[(2-methylphenyl)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

F595-0014

Molecular Formula

C18H18N4S (C18 H18 N4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc(n2CC3)nnc2N3c2ccccc2)cccc1

InChI

InChI=1S/C18H18N4S/c1-14-7-5-6-8-15(14)13-23-18-20-19-17-21(11-12-22(17)18)16-9-3-2-4-10-16/h2-10H,11-13H2,1H3

InChI Key

QHZCHNQSAWLTTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

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

4.619

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.32

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

F595-0014 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 F595-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0014?
Check Price and Availability of F595-0014, 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 F595-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0014
  • 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 F595-0014 available by request