6791-0047 Screening compound: N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-4-fluoro-1-benzenesulfonamide

6791-0047 Screening compound: N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-4-fluoro-1-benzenesulfonamide
6791-0047 Screening compound: N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-4-fluoro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6791-0047
N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-4-fluoro-1-benzenesulfonamide

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

6791-0047

Molecular Formula

C13H7ClFNO4S2 (C13 H7 ClFNO4 S2)

Compound Name

N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-4-fluoro-1-benzenesulfonamide

IUPAC name

N-(7-chloro-2-oxo-2H-13-benzoxathiol-5-yl)-4-fluorobenzene-1-sulfonamide

SMILES

O=C1Sc2cc(NS(c(cc3)ccc3F)(=O)=O)cc(Cl)c2O1

InChI

InChI=1S/C13H7ClFNO4S2/c14-10-5-8(6-11-12(10)20-13(17)21-11)16-22(18,19)9-3-1-7(15)2-4-9/h1-6,16H

InChI Key

CENIJMHAOHCFQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.79

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

3.660

Distribution Coefficient, logD

2.331

Water Solubility, LogSw

-3.96

Polar Surface Area

62.644

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

-13.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6791-0047 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6791-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6791-0047?
Check Price and Availability of 6791-0047, 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 6791-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6791-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6791-0047
  • 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 6791-0047 available by request