V001-8720 Screening compound: 3-[4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

V001-8720 Screening compound: 3-[4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
V001-8720 Screening compound: 3-[4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-8720
3-[4-phenyl-5-({[4-(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

V001-8720

Molecular Formula

C21H15F3N4S (C21 H15 F3 N4 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1ccc(CSc2nnc(-c3cnccc3)n2-c2ccccc2)cc1)(F)F

InChI

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

InChI Key

GEZCTQPFXVWCTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844207

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

4.383

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.36

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

V001-8720 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 V001-8720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-8720?
Check Price and Availability of V001-8720, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-8720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-8720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-8720
  • 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 V001-8720 available by request