8013-2023 Screening compound: (4-chlorophenyl)[2-thioxo[1,3]thiazolo[3,2-b][1,2,4]triazol-1(2H)-yl]methanone

8013-2023 Screening compound: (4-chlorophenyl)[2-thioxo[1,3]thiazolo[3,2-b][1,2,4]triazol-1(2H)-yl]methanone
8013-2023 Screening compound: (4-chlorophenyl)[2-thioxo[1,3]thiazolo[3,2-b][1,2,4]triazol-1(2H)-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2023
(4-chlorophenyl)[2-thioxo[1,3]thiazolo[3,2-b][1,2,4]triazol-1(2H)-yl]methanone

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

8013-2023

Molecular Formula

C11H6ClN3OS2 (C11 H6 ClN3 OS2)

Compound Name

(4-chlorophenyl)[2-thioxo[1,3]thiazolo[3,2-b][1,2,4]triazol-1(2H)-yl]methanone

IUPAC name

1-(4-chlorobenzoyl)-1H2H-[124]triazolo[32-b][13]thiazole-2-thione

SMILES

O=C(c(cc1)ccc1Cl)N1N(C=CS2)C2=NC1=S

InChI

InChI=1S/C11H6ClN3OS2/c12-8-3-1-7(2-4-8)9(16)15-10(17)13-11-14(15)5-6-18-11/h1-6H

InChI Key

IWLCQKVRBJLCGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.098

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-2.83

Polar Surface Area

29.725

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8013-2023 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-2023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2023?
Check Price and Availability of 8013-2023, 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 8013-2023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2023
  • 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 8013-2023 available by request