C113-0457 Screening compound: N-ethyl-N-(3-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide

C113-0457 Screening compound: N-ethyl-N-(3-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
C113-0457 Screening compound: N-ethyl-N-(3-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0457
N-ethyl-N-(3-methylphenyl)-2,1,3-benzothiadiazole-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

C113-0457

Molecular Formula

C15H15N3O2S2 (C15 H15 N3 O2 S2)

Compound Name

N-ethyl-N-(3-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-ethyl-N-(3-methylphenyl)-213-benzothiadiazole-4-sulfonamide

SMILES

CCN(c1cc(C)ccc1)S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C15H15N3O2S2/c1-3-18(12-7-4-6-11(2)10-12)22(19,20)14-9-5-8-13-15(14)17-21-16-13/h4-10H,3H2,1-2H3

InChI Key

XZTSFVJEARASSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.700

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-3.85

Polar Surface Area

52.741

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C113-0457 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 C113-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0457?
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What is the minimum amount of C113-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0457
  • 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 C113-0457 available by request