C113-0231 Screening compound: N-(3-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide

C113-0231 Screening compound: N-(3-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
C113-0231 Screening compound: N-(3-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0231
N-(3-methylphenyl)-2,1,3-benzoxadiazole-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

C113-0231

Molecular Formula

C13H11N3O3S (C13 H11 N3 O3 S)

Compound Name

N-(3-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide

IUPAC name

N-(3-methylphenyl)-213-benzoxadiazole-4-sulfonamide

SMILES

Cc1cccc(NS(c2cccc3nonc23)(=O)=O)c1

InChI

InChI=1S/C13H11N3O3S/c1-9-4-2-5-10(8-9)16-20(17,18)12-7-3-6-11-13(12)15-19-14-11/h2-8,16H,1H3

InChI Key

HMWHBHVEAXUNOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01348407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.30

Polar Surface Area

76.978

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C113-0231 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C113-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0231?
Check Price and Availability of C113-0231, 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 C113-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0231
  • 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 C113-0231 available by request