5795-0030 Screening compound: 3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1-(thiophene-2-sulfonyl)-1H-pyrazole

5795-0030 Screening compound: 3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1-(thiophene-2-sulfonyl)-1H-pyrazole
5795-0030 Screening compound: 3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1-(thiophene-2-sulfonyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5795-0030
3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-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

5795-0030

Molecular Formula

C16H16N2O2S3 (C16 H16 N2 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(nc1C)S(c2cccs2)(=O)=O)c1Sc1ccc(C)cc1

InChI

InChI=1S/C16H16N2O2S3/c1-11-6-8-14(9-7-11)22-16-12(2)17-18(13(16)3)23(19,20)15-5-4-10-21-15/h4-10H,1-3H3

InChI Key

GKBGOPYFANLVFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03707789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.51

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

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-3.91

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

18.80

5795-0030 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 5795-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5795-0030?
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What is the minimum amount of 5795-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5795-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5795-0030
  • 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 5795-0030 available by request