0489-0042 Screening compound: N-(4-methylphenyl)-4-{4-[(4-methylphenyl)sulfamoyl]phenoxy}benzene-1-sulfonamide

0489-0042 Screening compound: N-(4-methylphenyl)-4-{4-[(4-methylphenyl)sulfamoyl]phenoxy}benzene-1-sulfonamide
0489-0042 Screening compound: N-(4-methylphenyl)-4-{4-[(4-methylphenyl)sulfamoyl]phenoxy}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0489-0042
N-(4-methylphenyl)-4-{4-[(4-methylphenyl)sulfamoyl]phenoxy}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

0489-0042

Molecular Formula

C26H24N2O5S2 (C26 H24 N2 O5 S2)

Compound Name

N-(4-methylphenyl)-4-{4-[(4-methylphenyl)sulfamoyl]phenoxy}benzene-1-sulfonamide

IUPAC name

N-(4-methylphenyl)-4-{4-[(4-methylphenyl)sulfamoyl]phenoxy}benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1NS(c(cc1)ccc1Oc(cc1)ccc1S(Nc1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C26H24N2O5S2/c1-19-3-7-21(8-4-19)27-34(29,30)25-15-11-23(12-16-25)33-24-13-17-26(18-14-24)35(31,32)28-22-9-5-20(2)6-10-22/h3-18,27-28H,1-2H3

InChI Key

WYOYQSJUQUEATO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00492912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.308

Distribution Coefficient, logD

6.306

Water Solubility, LogSw

-5.76

Polar Surface Area

88.285

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

-9.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0489-0042 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 0489-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0489-0042?
Check Price and Availability of 0489-0042, 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 0489-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0489-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0489-0042
  • 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 0489-0042 available by request