V008-0480 Screening compound: 3-(2-fluorophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V008-0480 Screening compound: 3-(2-fluorophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V008-0480 Screening compound: 3-(2-fluorophenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0480
3-(2-fluorophenyl)-4-phenyl-5-({[3-(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

V008-0480

Molecular Formula

C22H15F4N3S (C22 H15 F4 N3 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1cccc(CSc2nnc(-c(cccc3)c3F)n2-c2ccccc2)c1)(F)F

InChI

InChI=1S/C22H15F4N3S/c23-19-12-5-4-11-18(19)20-27-28-21(29(20)17-9-2-1-3-10-17)30-14-15-7-6-8-16(13-15)22(24,25)26/h1-13H,14H2

InChI Key

ADBRCQYNJCFWFU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.44

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

5.797

Distribution Coefficient, logD

5.797

Water Solubility, LogSw

-6.45

Polar Surface Area

24.712

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with V008-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0480?
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What is the minimum amount of V008-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0480
  • 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 V008-0480 available by request