2479-2217 Screening compound: 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one

2479-2217 Screening compound: 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
2479-2217 Screening compound: 7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2479-2217
7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one

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

2479-2217

Molecular Formula

C13H7ClO3S (C13 H7 ClO3 S)

Compound Name

7-(3-chlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one

IUPAC name

7-(3-chlorophenyl)-5-hydroxy-2H-13-benzoxathiol-2-one

SMILES

Oc(cc1S2)cc(-c3cccc(Cl)c3)c1OC2=O

InChI

InChI=1S/C13H7ClO3S/c14-8-3-1-2-7(4-8)10-5-9(15)6-11-12(10)17-13(16)18-11/h1-6,15H

InChI Key

VPTFYMNILPYFRK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.40

Polar Surface Area

39.340

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2479-2217 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2479-2217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2479-2217?
Check Price and Availability of 2479-2217, 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 2479-2217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2479-2217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2479-2217
  • 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 2479-2217 available by request