0917-0090 Screening compound: N-(3-acetylphenyl)-3-(4-bromobenzenesulfonyl)benzene-1-sulfonamide

0917-0090 Screening compound: N-(3-acetylphenyl)-3-(4-bromobenzenesulfonyl)benzene-1-sulfonamide
0917-0090 Screening compound: N-(3-acetylphenyl)-3-(4-bromobenzenesulfonyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0917-0090
N-(3-acetylphenyl)-3-(4-bromobenzenesulfonyl)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

0917-0090

Molecular Formula

C20H16BrNO5S2 (C20 H16 BrNO5 S2)

Compound Name

N-(3-acetylphenyl)-3-(4-bromobenzenesulfonyl)benzene-1-sulfonamide

IUPAC name

N-(3-acetylphenyl)-3-(4-bromobenzenesulfonyl)benzene-1-sulfonamide

SMILES

CC(c1cccc(NS(c2cccc(S(c(cc3)ccc3Br)(=O)=O)c2)(=O)=O)c1)=O

InChI

InChI=1S/C20H16BrNO5S2/c1-14(23)15-4-2-5-17(12-15)22-29(26,27)20-7-3-6-19(13-20)28(24,25)18-10-8-16(21)9-11-18/h2-13,22H,1H3

InChI Key

LVLRTONXPJCRNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-4.40

Polar Surface Area

84.216

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-13.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

0917-0090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0917-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0917-0090?
Check Price and Availability of 0917-0090, 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 0917-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0917-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0917-0090
  • 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 0917-0090 available by request