2219-0031 Screening compound: 5-(2,4-dichlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

2219-0031 Screening compound: 5-(2,4-dichlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
2219-0031 Screening compound: 5-(2,4-dichlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2219-0031
5-(2,4-dichlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

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

2219-0031

Molecular Formula

C15H11Cl2N3S (C15 H11 Cl2 N3 S)

Compound Name

5-(2,4-dichlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(24-dichlorophenyl)-4-(4-methylphenyl)-4H-124-triazole-3-thiol

SMILES

Cc(cc1)ccc1-n1c(S)nnc1-c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C15H11Cl2N3S/c1-9-2-5-11(6-3-9)20-14(18-19-15(20)21)12-7-4-10(16)8-13(12)17/h2-8H,1H3,(H,19,21)

InChI Key

DTLZFSMUSOLSDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01407800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-5.10

Polar Surface Area

23.458

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

2219-0031 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2219-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2219-0031?
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What is the minimum amount of 2219-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2219-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2219-0031
  • 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 2219-0031 available by request