5795-0063 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazole

5795-0063 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazole
5795-0063 Screening compound: 4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5795-0063
4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazole

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

5795-0063

Molecular Formula

C15H13ClN2O2S3 (C15 H13 ClN2 O2 S3)

Compound Name

4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazole

IUPAC name

4-[(4-chlorophenyl)sulfanyl]-35-dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazole

SMILES

Cc(n(nc1C)S(c2cccs2)(=O)=O)c1Sc(cc1)ccc1Cl

InChI

InChI=1S/C15H13ClN2O2S3/c1-10-15(22-13-7-5-12(16)6-8-13)11(2)18(17-10)23(19,20)14-4-3-9-21-14/h3-9H,1-2H3

InChI Key

ASBDZDXMFAPQRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03707433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-4.35

Polar Surface Area

41.606

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

5795-0063 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5795-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5795-0063?
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What is the minimum amount of 5795-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5795-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5795-0063
  • 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 5795-0063 available by request