5493-0046 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-sulfamoylphenyl)benzamide

5493-0046 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-sulfamoylphenyl)benzamide
5493-0046 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-sulfamoylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5493-0046
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-sulfamoylphenyl)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

5493-0046

Molecular Formula

C21H15N3O5S (C21 H15 N3 O5 S)

Compound Name

3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-sulfamoylphenyl)benzamide

IUPAC name

3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(4-sulfamoylphenyl)benzamide

SMILES

NS(c(cc1)ccc1NC(c1cc(N(C(c2c3cccc2)=O)C3=O)ccc1)=O)(=O)=O

InChI

InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)

InChI Key

BRGAPCZLCVQROC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04323403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.978

Distribution Coefficient, logD

1.950

Water Solubility, LogSw

-2.97

Polar Surface Area

102.574

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5493-0046 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5493-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5493-0046?
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What is the minimum amount of 5493-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5493-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5493-0046
  • 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 5493-0046 available by request