V008-0078 Screening compound: 3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole

V008-0078 Screening compound: 3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
V008-0078 Screening compound: 3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0078
3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-phenyl-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

V008-0078

Molecular Formula

C21H16FN3S (C21 H16 FN3 S)

Compound Name

3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-5-(2-fluorophenyl)-4-phenyl-4H-124-triazole

SMILES

Fc(cccc1)c1-c(n1-c2ccccc2)nnc1SCc1ccccc1

InChI

InChI=1S/C21H16FN3S/c22-19-14-8-7-13-18(19)20-23-24-21(25(20)17-11-5-2-6-12-17)26-15-16-9-3-1-4-10-16/h1-14H,15H2

InChI Key

WNDGDWCROTUDRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843663

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.763

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.92

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

4.80

V008-0078 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V008-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0078?
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What is the minimum amount of V008-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0078
  • 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 V008-0078 available by request