V004-3065 Screening compound: 3-(2-fluorophenyl)-4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V004-3065 Screening compound: 3-(2-fluorophenyl)-4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V004-3065 Screening compound: 3-(2-fluorophenyl)-4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3065
3-(2-fluorophenyl)-4-phenyl-5-({[4-(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

V004-3065

Molecular Formula

C22H15F4N3S (C22 H15 F4 N3 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1ccc(CSc2nnc(-c(cccc3)c3F)n2-c2ccccc2)cc1)(F)F

InChI

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

InChI Key

FRSRLBXGLHTXNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843665

Chemical and Physical Properties

Saltdata

not_available

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

5.635

Distribution Coefficient, logD

5.635

Water Solubility, LogSw

-6.19

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

V004-3065 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V004-3065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3065?
Check Price and Availability of V004-3065, 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 V004-3065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3065
  • 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 V004-3065 available by request