V002-7160 Screening compound: 3-(2-fluorophenyl)-4-(2-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V002-7160 Screening compound: 3-(2-fluorophenyl)-4-(2-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V002-7160 Screening compound: 3-(2-fluorophenyl)-4-(2-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7160
3-(2-fluorophenyl)-4-(2-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-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

V002-7160

Molecular Formula

C23H20FN3S (C23 H20 FN3 S)

Compound Name

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

IUPAC name

3-(2-fluorophenyl)-4-(2-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

Cc1cccc(CSc2nnc(-c(cccc3)c3F)n2-c2c(C)cccc2)c1

InChI

InChI=1S/C23H20FN3S/c1-16-8-7-10-18(14-16)15-28-23-26-25-22(19-11-4-5-12-20(19)24)27(23)21-13-6-3-9-17(21)2/h3-14H,15H2,1-2H3

InChI Key

TYCHLAWCOAPOMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843730

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.167

Distribution Coefficient, logD

6.167

Water Solubility, LogSw

-5.95

Polar Surface Area

24.412

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V002-7160 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V002-7160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7160?
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What is the minimum amount of V002-7160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7160
  • 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 V002-7160 available by request