8013-0701 Screening compound: N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzene-1-sulfonamide

8013-0701 Screening compound: N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzene-1-sulfonamide
8013-0701 Screening compound: N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0701
N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzene-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

8013-0701

Molecular Formula

C20H19NO6S2 (C20 H19 NO6 S2)

Compound Name

N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzene-1-sulfonamide

IUPAC name

N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzene-1-sulfonamide

SMILES

Cc(cc(c(S(c1ccccc1)(=O)=O)c1)O)c1NS(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C20H19NO6S2/c1-14-12-19(22)20(28(23,24)16-6-4-3-5-7-16)13-18(14)21-29(25,26)17-10-8-15(27-2)9-11-17/h3-13,21-22H,1-2H3

InChI Key

UDHZEAXIQZFASG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.21

Polar Surface Area

93.783

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-12.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8013-0701 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Autophagy-Targeted Library (4564 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0701?
Check Price and Availability of 8013-0701, 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 8013-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0701
  • 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 8013-0701 available by request