V001-8184 Screening compound: 3-benzyl-4-(3-chlorophenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazole

V001-8184 Screening compound: 3-benzyl-4-(3-chlorophenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazole
V001-8184 Screening compound: 3-benzyl-4-(3-chlorophenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-8184
3-benzyl-4-(3-chlorophenyl)-5-(ethylsulfanyl)-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

V001-8184

Molecular Formula

C17H16ClN3S (C17 H16 ClN3 S)

Compound Name

3-benzyl-4-(3-chlorophenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazole

IUPAC name

3-benzyl-4-(3-chlorophenyl)-5-(ethylsulfanyl)-4H-124-triazole

SMILES

CCSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1

InChI

InChI=1S/C17H16ClN3S/c1-2-22-17-20-19-16(11-13-7-4-3-5-8-13)21(17)15-10-6-9-14(18)12-15/h3-10,12H,2,11H2,1H3

InChI Key

AZVPZZVKZNSXOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772311

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

329.85

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

4.548

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.58

Polar Surface Area

25.960

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

V001-8184 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V001-8184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-8184?
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What is the minimum amount of V001-8184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-8184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-8184
  • 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 V001-8184 available by request