0279-0227 Screening compound: 6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate

0279-0227 Screening compound: 6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate
0279-0227 Screening compound: 6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0279-0227
6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate

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

0279-0227

Molecular Formula

C9H4ClNO7S (C9 H4 ClNO7 S)

Compound Name

6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate

IUPAC name

6-chloro-4-nitro-2-oxo-2H-13-benzoxathiol-5-yl methyl carbonate

SMILES

COC(Oc(c([N+]([O-])=O)c(c(O1)c2)SC1=O)c2Cl)=O

InChI

InChI=1S/C9H4ClNO7S/c1-16-8(12)18-6-3(10)2-4-7(5(6)11(14)15)19-9(13)17-4/h2H,1H3

InChI Key

YDKAICSDAOTTCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.848

Distribution Coefficient, logD

1.848

Water Solubility, LogSw

-2.83

Polar Surface Area

84.449

Acid Dissociation Constant (pKa)

34.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0279-0227 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 0279-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0279-0227?
Check Price and Availability of 0279-0227, 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 0279-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0279-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0279-0227
  • 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 0279-0227 available by request