0917-0022 Screening compound: 5-[(4-acetylphenyl)sulfamoyl]-N-(4-bromophenyl)-2-chlorobenzamide

0917-0022 Screening compound: 5-[(4-acetylphenyl)sulfamoyl]-N-(4-bromophenyl)-2-chlorobenzamide
0917-0022 Screening compound: 5-[(4-acetylphenyl)sulfamoyl]-N-(4-bromophenyl)-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0917-0022
5-[(4-acetylphenyl)sulfamoyl]-N-(4-bromophenyl)-2-chlorobenzamide

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

0917-0022

Molecular Formula

C21H16BrClN2O4S (C21 H16 BrClN2 O4 S)

Compound Name

5-[(4-acetylphenyl)sulfamoyl]-N-(4-bromophenyl)-2-chlorobenzamide

IUPAC name

5-[(4-acetylphenyl)sulfamoyl]-N-(4-bromophenyl)-2-chlorobenzamide

SMILES

CC(c(cc1)ccc1NS(c(cc1)cc(C(Nc(cc2)ccc2Br)=O)c1Cl)(=O)=O)=O

InChI

InChI=1S/C21H16BrClN2O4S/c1-13(26)14-2-6-17(7-3-14)25-30(28,29)18-10-11-20(23)19(12-18)21(27)24-16-8-4-15(22)5-9-16/h2-12,25H,1H3,(H,24,27)

InChI Key

PVFRXMDFRHMKGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00492994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.854

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-4.93

Polar Surface Area

77.806

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

0917-0022 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0917-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0917-0022?
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What is the minimum amount of 0917-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0917-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0917-0022
  • 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 0917-0022 available by request