V010-9451 Screening compound: 3-(2-methylphenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V010-9451 Screening compound: 3-(2-methylphenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V010-9451 Screening compound: 3-(2-methylphenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9451
3-(2-methylphenyl)-4-phenyl-5-({[2-(trifluoromethyl)phenyl]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

V010-9451

Molecular Formula

C23H18F3N3S (C23 H18 F3 N3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c(n1-c2ccccc2)nnc1SCc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C23H18F3N3S/c1-16-9-5-7-13-19(16)21-27-28-22(29(21)18-11-3-2-4-12-18)30-15-17-10-6-8-14-20(17)23(24,25)26/h2-14H,15H2,1H3

InChI Key

XPRVNPTXXUYBTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843363

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.270

Distribution Coefficient, logD

6.270

Water Solubility, LogSw

-5.87

Polar Surface Area

24.712

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with V010-9451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9451?
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What is the minimum amount of V010-9451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9451
  • 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 V010-9451 available by request