0917-0086 Screening compound: 4-bromo-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

0917-0086 Screening compound: 4-bromo-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
0917-0086 Screening compound: 4-bromo-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0917-0086
4-bromo-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

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

0917-0086

Molecular Formula

C14H12BrNO5S (C14 H12 BrNO5 S)

Compound Name

4-bromo-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

IUPAC name

4-bromo-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

SMILES

COc(cc1)ccc1NS(c(cc(cc1)C(O)=O)c1Br)(=O)=O

InChI

InChI=1S/C14H12BrNO5S/c1-21-11-5-3-10(4-6-11)16-22(19,20)13-8-9(14(17)18)2-7-12(13)15/h2-8,16H,1H3,(H,17,18)

InChI Key

MDEBFGFCGFZBGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

-1.311

Water Solubility, LogSw

-3.75

Polar Surface Area

76.840

Acid Dissociation Constant (pKa)

2.55

Base Dissociation Constant (pKb)

-10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0917-0086 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with 0917-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0917-0086?
Check Price and Availability of 0917-0086, 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 0917-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0917-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0917-0086
  • 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 0917-0086 available by request