0711-0089 Screening compound: 3-[(3-methylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

0711-0089 Screening compound: 3-[(3-methylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide
0711-0089 Screening compound: 3-[(3-methylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0711-0089
3-[(3-methylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

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

0711-0089

Molecular Formula

C20H17N3O5S (C20 H17 N3 O5 S)

Compound Name

3-[(3-methylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

IUPAC name

3-[(3-methylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

SMILES

Cc1cccc(NS(c2cc(C(Nc(cc3)ccc3[N+]([O-])=O)=O)ccc2)(=O)=O)c1

InChI

InChI=1S/C20H17N3O5S/c1-14-4-2-6-17(12-14)22-29(27,28)19-7-3-5-15(13-19)20(24)21-16-8-10-18(11-9-16)23(25)26/h2-13,22H,1H3,(H,21,24)

InChI Key

XBIWYYCQKIMEBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00336916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.034

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.08

Polar Surface Area

97.361

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

0711-0089 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Autophagy-Targeted Library (4564 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 0711-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0711-0089?
Check Price and Availability of 0711-0089, 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 0711-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0711-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0711-0089
  • 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 0711-0089 available by request