5591-1949 Screening compound: 4-chloro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

5591-1949 Screening compound: 4-chloro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide
5591-1949 Screening compound: 4-chloro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-1949
4-chloro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-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

5591-1949

Molecular Formula

C17H10ClNO4S2 (C17 H10 ClNO4 S2)

Compound Name

4-chloro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{2-oxo-2H-naphtho[21-d][13]oxathiol-5-yl}benzene-1-sulfonamide

SMILES

O=C1Sc(cc(c2ccccc22)NS(c(cc3)ccc3Cl)(=O)=O)c2O1

InChI

InChI=1S/C17H10ClNO4S2/c18-10-5-7-11(8-6-10)25(21,22)19-14-9-15-16(23-17(20)24-15)13-4-2-1-3-12(13)14/h1-9,19H

InChI Key

DZQDSCTVLSZXSH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

4.150

Water Solubility, LogSw

-4.86

Polar Surface Area

61.675

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-12.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 5591-1949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-1949?
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What is the minimum amount of 5591-1949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-1949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-1949
  • 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 5591-1949 available by request