6529-0222 Screening compound: 5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-phenyl-1H-1,2,4-triazole

6529-0222 Screening compound: 5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-phenyl-1H-1,2,4-triazole
6529-0222 Screening compound: 5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-phenyl-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6529-0222
5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-phenyl-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

6529-0222

Molecular Formula

C17H17N3O2S2 (C17 H17 N3 O2 S2)

Compound Name

5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-phenyl-1H-1,2,4-triazole

IUPAC name

5-(benzylsulfanyl)-1-(ethanesulfonyl)-3-phenyl-1H-124-triazole

SMILES

CCS(n1nc(-c2ccccc2)nc1SCc1ccccc1)(=O)=O

InChI

InChI=1S/C17H17N3O2S2/c1-2-24(21,22)20-17(23-13-14-9-5-3-6-10-14)18-16(19-20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3

InChI Key

HWWQAJRAQKTWEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04327757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-3.75

Polar Surface Area

50.568

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

6529-0222 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6529-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6529-0222?
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What is the minimum amount of 6529-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6529-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6529-0222
  • 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 6529-0222 available by request