8008-5848 Screening compound: 3-(2,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

8008-5848 Screening compound: 3-(2,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
8008-5848 Screening compound: 3-(2,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5848
3-(2,4-dichlorophenyl)-4-methyl-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

8008-5848

Molecular Formula

C9H7Cl2N3S (C9 H7 Cl2 N3 S)

Compound Name

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

IUPAC name

3-(24-dichlorophenyl)-4-methyl-45-dihydro-1H-124-triazole-5-thione

SMILES

CN(C(c(ccc(Cl)c1)c1Cl)=NN1)C1=S

InChI

InChI=1S/C9H7Cl2N3S/c1-14-8(12-13-9(14)15)6-3-2-5(10)4-7(6)11/h2-4H,1H3,(H,13,15)

InChI Key

KNPVHXREFIERGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

0.819

Water Solubility, LogSw

-4.12

Polar Surface Area

27.622

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8008-5848 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8008-5848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5848?
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What is the minimum amount of 8008-5848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5848
  • 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 8008-5848 available by request