8003-8286 Screening compound: N-(3-methylphenyl)-3-nitrobenzene-1-sulfonamide

8003-8286 Screening compound: N-(3-methylphenyl)-3-nitrobenzene-1-sulfonamide
8003-8286 Screening compound: N-(3-methylphenyl)-3-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8286
N-(3-methylphenyl)-3-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

8003-8286

Molecular Formula

C13H12N2O4S (C13 H12 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NS(c2cc([N+]([O-])=O)ccc2)(=O)=O)c1

InChI

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

InChI Key

BTBZINOWXNVCEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625664

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

3.057

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.42

Polar Surface Area

74.270

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-11.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8003-8286 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8003-8286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8286?
Check Price and Availability of 8003-8286, 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 8003-8286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8286
  • 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 8003-8286 available by request