2141-0153 Screening compound: 3-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

2141-0153 Screening compound: 3-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
2141-0153 Screening compound: 3-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2141-0153
3-(2-chlorophenyl)-4-phenyl-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

2141-0153

Molecular Formula

C14H10ClN3S (C14 H10 ClN3 S)

Compound Name

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

IUPAC name

3-(2-chlorophenyl)-4-phenyl-45-dihydro-1H-124-triazole-5-thione

SMILES

S=C(NN=C1c(cccc2)c2Cl)N1c1ccccc1

InChI

InChI=1S/C14H10ClN3S/c15-12-9-5-4-8-11(12)13-16-17-14(19)18(13)10-6-2-1-3-7-10/h1-9H,(H,17,19)

InChI Key

DXGQKQYLXHGLRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00955162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.77

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

3.831

Distribution Coefficient, logD

0.778

Water Solubility, LogSw

-4.44

Polar Surface Area

26.973

Acid Dissociation Constant (pKa)

4.35

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2141-0153 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2141-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2141-0153?
Check Price and Availability of 2141-0153, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2141-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2141-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2141-0153
  • 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 2141-0153 available by request