0217-0123 Screening compound: 6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate

0217-0123 Screening compound: 6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate
0217-0123 Screening compound: 6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0217-0123
6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate

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

0217-0123

Molecular Formula

C13H6ClNO7S2 (C13 H6 ClNO7 S2)

Compound Name

6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate

IUPAC name

6-chloro-2-oxo-2H-13-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate

SMILES

[O-][N+](c(cc1)ccc1S(Oc(cc(c(O1)c2)SC1=O)c2Cl)(=O)=O)=O

InChI

InChI=1S/C13H6ClNO7S2/c14-9-5-11-12(23-13(16)21-11)6-10(9)22-24(19,20)8-3-1-7(2-4-8)15(17)18/h1-6H

InChI Key

MFRHPELOQVOJOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00389436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.78

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.387

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.94

Polar Surface Area

91.540

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0217-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0217-0123?
Check Price and Availability of 0217-0123, 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 0217-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0217-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0217-0123
  • 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 0217-0123 available by request