V010-9803 Screening compound: 2-({[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V010-9803 Screening compound: 2-({[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V010-9803 Screening compound: 2-({[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9803
2-({[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

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

V010-9803

Molecular Formula

C22H15FN4S (C22 H15 FN4 S)

Compound Name

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

IUPAC name

2-({[5-(2-fluorophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}methyl)benzonitrile

SMILES

N#Cc1c(CSc2nnc(-c(cccc3)c3F)n2-c2ccccc2)cccc1

InChI

InChI=1S/C22H15FN4S/c23-20-13-7-6-12-19(20)21-25-26-22(27(21)18-10-2-1-3-11-18)28-15-17-9-5-4-8-16(17)14-24/h1-13H,15H2

InChI Key

JTDNSJFWHLIONX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04861363

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.45

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

4.843

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.96

Polar Surface Area

41.769

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

V010-9803 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 V010-9803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9803?
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What is the minimum amount of V010-9803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9803
  • 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 V010-9803 available by request