8016-8518 Screening compound: N~4~-(2-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide

8016-8518 Screening compound: N~4~-(2-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
8016-8518 Screening compound: N~4~-(2-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8518
N~4~-(2-chlorobenzyl)-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

8016-8518

Molecular Formula

C12H14ClN3O2S (C12 H14 ClN3 O2 S)

Compound Name

N~4~-(2-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide

IUPAC name

N-[(2-chlorophenyl)methyl]-13-dimethyl-1H-pyrazole-4-sulfonamide

SMILES

Cc1nn(C)cc1S(NCc(cccc1)c1Cl)(=O)=O

InChI

InChI=1S/C12H14ClN3O2S/c1-9-12(8-16(2)15-9)19(17,18)14-7-10-5-3-4-6-11(10)13/h3-6,8,14H,7H2,1-2H3

InChI Key

JLXTXFXMLAFIQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05100188

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

299.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

1.771

Water Solubility, LogSw

-2.65

Polar Surface Area

57.159

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8016-8518 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-8518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8518?
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What is the minimum amount of 8016-8518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8518
  • 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 8016-8518 available by request