0671-0053 Screening compound: N-(3-methylphenyl)-2-nitrobenzene-1-sulfonamide

0671-0053 Screening compound: N-(3-methylphenyl)-2-nitrobenzene-1-sulfonamide
0671-0053 Screening compound: N-(3-methylphenyl)-2-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0671-0053
N-(3-methylphenyl)-2-nitrobenzene-1-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

0671-0053

Molecular Formula

C13H12N2O4S (C13 H12 N2 O4 S)

Compound Name

N-(3-methylphenyl)-2-nitrobenzene-1-sulfonamide

IUPAC name

N-(3-methylphenyl)-2-nitrobenzene-1-sulfonamide

SMILES

Cc1cccc(NS(c(cccc2)c2[N+]([O-])=O)(=O)=O)c1

InChI

InChI=1S/C13H12N2O4S/c1-10-5-4-6-11(9-10)14-20(18,19)13-8-3-2-7-12(13)15(16)17/h2-9,14H,1H3

InChI Key

TXAYYLVKJPPOES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00547737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-3.50

Polar Surface Area

73.969

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-10.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0671-0053 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0671-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0671-0053?
Check Price and Availability of 0671-0053, 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 0671-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0671-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0671-0053
  • 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 0671-0053 available by request