4235-0622 Screening compound: N-[4-hydroxy-3-(4-methylbenzenesulfonyl)phenyl]-4-methylbenzene-1-sulfonamide

4235-0622 Screening compound: N-[4-hydroxy-3-(4-methylbenzenesulfonyl)phenyl]-4-methylbenzene-1-sulfonamide
4235-0622 Screening compound: N-[4-hydroxy-3-(4-methylbenzenesulfonyl)phenyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4235-0622
N-[4-hydroxy-3-(4-methylbenzenesulfonyl)phenyl]-4-methylbenzene-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

4235-0622

Molecular Formula

C20H19NO5S2 (C20 H19 NO5 S2)

Compound Name

N-[4-hydroxy-3-(4-methylbenzenesulfonyl)phenyl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[4-hydroxy-3-(4-methylbenzenesulfonyl)phenyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(c(cc(cc1)NS(c2ccc(C)cc2)(=O)=O)c1O)(=O)=O

InChI

InChI=1S/C20H19NO5S2/c1-14-3-8-17(9-4-14)27(23,24)20-13-16(7-12-19(20)22)21-28(25,26)18-10-5-15(2)6-11-18/h3-13,21-22H,1-2H3

InChI Key

TZYAHROQDGRCCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00189092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-3.92

Polar Surface Area

86.937

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-11.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4235-0622 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4235-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4235-0622?
Check Price and Availability of 4235-0622, 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 4235-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4235-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4235-0622
  • 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 4235-0622 available by request