V004-7494 Screening compound: 3-[4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

V004-7494 Screening compound: 3-[4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
V004-7494 Screening compound: 3-[4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7494
3-[4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

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

V004-7494

Molecular Formula

C21H15F3N4S (C21 H15 F3 N4 S)

Compound Name

3-[4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

3-[4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazol-3-yl]pyridine

SMILES

FC(c1cccc(CSc2nnc(-c3cnccc3)n2-c2ccccc2)c1)(F)F

InChI

InChI=1S/C21H15F3N4S/c22-21(23,24)17-8-4-6-15(12-17)14-29-20-27-26-19(16-7-5-11-25-13-16)28(20)18-9-2-1-3-10-18/h1-13H,14H2

InChI Key

YWHXSUOLVHFUMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775902

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.46

Polar Surface Area

34.230

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V004-7494 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V004-7494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7494?
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What is the minimum amount of V004-7494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7494
  • 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 V004-7494 available by request