4719-0276 Screening compound: 3-(3-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

4719-0276 Screening compound: 3-(3-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
4719-0276 Screening compound: 3-(3-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4719-0276
3-(3-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

4719-0276

Molecular Formula

C8H6ClN3S (C8 H6 ClN3 S)

Compound Name

3-(3-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(3-chlorophenyl)-45-dihydro-1H-124-triazole-5-thione

SMILES

S=C1NN=C(c2cccc(Cl)c2)N1

InChI

InChI=1S/C8H6ClN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)

InChI Key

NTQZVPQAJQHJLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01125074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

-2.131

Water Solubility, LogSw

-3.20

Polar Surface Area

36.399

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4719-0276 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4719-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4719-0276?
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What is the minimum amount of 4719-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4719-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4719-0276
  • 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 4719-0276 available by request