V014-2498 Screening compound: 4-{4-[3-(trifluoromethyl)phenyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl}pyridine

V014-2498 Screening compound: 4-{4-[3-(trifluoromethyl)phenyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl}pyridine
V014-2498 Screening compound: 4-{4-[3-(trifluoromethyl)phenyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2498
4-{4-[3-(trifluoromethyl)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

V014-2498

Molecular Formula

C22H14F6N4S (C22 H14 F6 N4 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1cccc(CSc2nnc(-c3ccncc3)n2-c2cc(C(F)(F)F)ccc2)c1)(F)F

InChI

InChI=1S/C22H14F6N4S/c23-21(24,25)16-4-1-3-14(11-16)13-33-20-31-30-19(15-7-9-29-10-8-15)32(20)18-6-2-5-17(12-18)22(26,27)28/h1-12H,13H2

InChI Key

BKYYCCLNUPBRDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10462202

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.723

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-6.08

Polar Surface Area

34.141

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

V014-2498 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 V014-2498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2498?
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What is the minimum amount of V014-2498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2498
  • 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 V014-2498 available by request