6192-0017 Screening compound: 5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-one

6192-0017 Screening compound: 5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-one
6192-0017 Screening compound: 5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6192-0017
5-hydroxy-7-(4-nitrophenyl)-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

6192-0017

Molecular Formula

C13H7NO5S (C13 H7 NO5 S)

Compound Name

5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-one

IUPAC name

5-hydroxy-7-(4-nitrophenyl)-2H-13-benzoxathiol-2-one

SMILES

[O-][N+](c(cc1)ccc1-c1cc(O)cc(S2)c1OC2=O)=O

InChI

InChI=1S/C13H7NO5S/c15-9-5-10(12-11(6-9)20-13(16)19-12)7-1-3-8(4-2-7)14(17)18/h1-6,15H

InChI Key

NGGKZEUPYOGAHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04155586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-3.91

Polar Surface Area

72.722

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6192-0017 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6192-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6192-0017?
Check Price and Availability of 6192-0017, 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 6192-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6192-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6192-0017
  • 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 6192-0017 available by request