V010-9474 Screening compound: 3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V010-9474 Screening compound: 3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V010-9474 Screening compound: 3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9474
3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-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

V010-9474

Molecular Formula

C22H13Cl3F3N3S (C22 H13 Cl3 F3 N3 S)

Compound Name

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

IUPAC name

3-(2-chlorophenyl)-4-(34-dichlorophenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

FC(c1c(CSc2nnc(-c(cccc3)c3Cl)n2-c(cc2)cc(Cl)c2Cl)cccc1)(F)F

InChI

InChI=1S/C22H13Cl3F3N3S/c23-17-8-4-2-6-15(17)20-29-30-21(31(20)14-9-10-18(24)19(25)11-14)32-12-13-5-1-3-7-16(13)22(26,27)28/h1-11H,12H2

InChI Key

PXJVUXFNFHVEJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775875

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.78

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

7.848

Distribution Coefficient, logD

7.848

Water Solubility, LogSw

-7.10

Polar Surface Area

24.712

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with V010-9474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9474?
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What is the minimum amount of V010-9474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9474
  • 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 V010-9474 available by request