8016-6731 Screening compound: N~4~-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide

8016-6731 Screening compound: N~4~-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
8016-6731 Screening compound: N~4~-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6731
N~4~-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide

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

8016-6731

Molecular Formula

C13H17N3O3S (C13 H17 N3 O3 S)

Compound Name

N~4~-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-13-dimethyl-1H-pyrazole-4-sulfonamide

SMILES

Cc1nn(C)cc1S(Nc(cc(C)cc1)c1OC)(=O)=O

InChI

InChI=1S/C13H17N3O3S/c1-9-5-6-12(19-4)11(7-9)15-20(17,18)13-8-16(3)14-10(13)2/h5-8,15H,1-4H3

InChI Key

FBPXSSNLTNTWON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05115685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.131

Distribution Coefficient, logD

1.112

Water Solubility, LogSw

-2.34

Polar Surface Area

62.983

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

8016-6731 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Neuropeptide S Library (2850 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Nervous system
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-6731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6731?
Check Price and Availability of 8016-6731, 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 8016-6731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6731
  • 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 8016-6731 available by request