6529-0225 Screening compound: 3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-1,2,4-triazole

6529-0225 Screening compound: 3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
6529-0225 Screening compound: 3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6529-0225
3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-1,2,4-triazole

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

6529-0225

Molecular Formula

C11H12ClN3O2S2 (C11 H12 ClN3 O2 S2)

Compound Name

3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-1,2,4-triazole

IUPAC name

3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-124-triazole

SMILES

CCS(n1nc(-c(cc2)ccc2Cl)nc1SC)(=O)=O

InChI

InChI=1S/C11H12ClN3O2S2/c1-3-19(16,17)15-11(18-2)13-10(14-15)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3

InChI Key

OXHDGQFMAJFGBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04320385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.64

Polar Surface Area

50.839

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

6529-0225 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6529-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6529-0225?
Check Price and Availability of 6529-0225, 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 6529-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6529-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6529-0225
  • 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 6529-0225 available by request