R004-0058 Screening compound: 4-amino-N-(4-methylphenyl)benzene-1-sulfonamide

R004-0058 Screening compound: 4-amino-N-(4-methylphenyl)benzene-1-sulfonamide
R004-0058 Screening compound: 4-amino-N-(4-methylphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound R004-0058
4-amino-N-(4-methylphenyl)benzene-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

R004-0058

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

4-amino-N-(4-methylphenyl)benzene-1-sulfonamide

IUPAC name

4-amino-N-(4-methylphenyl)benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1NS(c(cc1)ccc1N)(=O)=O

InChI

InChI=1S/C13H14N2O2S/c1-10-2-6-12(7-3-10)15-18(16,17)13-8-4-11(14)5-9-13/h2-9,15H,14H2,1H3

InChI Key

QXIZWXNTAVXJNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01140092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.296

Distribution Coefficient, logD

2.293

Water Solubility, LogSw

-3.02

Polar Surface Area

61.694

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

R004-0058 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • 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 R004-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R004-0058?
Check Price and Availability of R004-0058, 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 R004-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R004-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R004-0058
  • 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 R004-0058 available by request