5591-1932 Screening compound: 3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide

5591-1932 Screening compound: 3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide
5591-1932 Screening compound: 3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-1932
3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)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

5591-1932

Molecular Formula

C13H8N2O6S2 (C13 H8 N2 O6 S2)

Compound Name

3-nitro-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide

IUPAC name

3-nitro-N-(2-oxo-2H-13-benzoxathiol-5-yl)benzene-1-sulfonamide

SMILES

[O-][N+](c1cccc(S(Nc(cc2)cc(S3)c2OC3=O)(=O)=O)c1)=O

InChI

InChI=1S/C13H8N2O6S2/c16-13-21-11-5-4-8(6-12(11)22-13)14-23(19,20)10-3-1-2-9(7-10)15(17)18/h1-7,14H

InChI Key

APMLNRWZQCEEDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-3.43

Polar Surface Area

96.342

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

-13.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5591-1932 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5591-1932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-1932?
Check Price and Availability of 5591-1932, 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 5591-1932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-1932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-1932
  • 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 5591-1932 available by request