V011-9401 Screening compound: 3-(2-furyl)-5-[(4-methylbenzyl)sulfanyl]-4-(2-methylphenyl)-4H-1,2,4-triazole

V011-9401 Screening compound: 3-(2-furyl)-5-[(4-methylbenzyl)sulfanyl]-4-(2-methylphenyl)-4H-1,2,4-triazole
V011-9401 Screening compound: 3-(2-furyl)-5-[(4-methylbenzyl)sulfanyl]-4-(2-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-9401
3-(2-furyl)-5-[(4-methylbenzyl)sulfanyl]-4-(2-methylphenyl)-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

V011-9401

Molecular Formula

C21H19N3OS (C21 H19 N3 OS)

Compound Name

3-(2-furyl)-5-[(4-methylbenzyl)sulfanyl]-4-(2-methylphenyl)-4H-1,2,4-triazole

IUPAC name

3-(furan-2-yl)-4-(2-methylphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

Cc1ccc(CSc2nnc(-c3ccco3)n2-c2c(C)cccc2)cc1

InChI

InChI=1S/C21H19N3OS/c1-15-9-11-17(12-10-15)14-26-21-23-22-20(19-8-5-13-25-19)24(21)18-7-4-3-6-16(18)2/h3-13H,14H2,1-2H3

InChI Key

OCKLWVBHTDFFJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772237

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-4.62

Polar Surface Area

32.990

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

V011-9401 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V011-9401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-9401?
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What is the minimum amount of V011-9401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-9401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-9401
  • 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 V011-9401 available by request