0331-0279 Screening compound: 6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl phenyl carbonate

0331-0279 Screening compound: 6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl phenyl carbonate
0331-0279 Screening compound: 6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl phenyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0331-0279
6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl phenyl 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

0331-0279

Molecular Formula

C14H7ClO5S (C14 H7 ClO5 S)

Compound Name

6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl phenyl carbonate

IUPAC name

6-chloro-2-oxo-2H-13-benzoxathiol-5-yl phenyl carbonate

SMILES

O=C(Oc1ccccc1)Oc(cc(c(O1)c2)SC1=O)c2Cl

InChI

InChI=1S/C14H7ClO5S/c15-9-6-11-12(21-14(17)20-11)7-10(9)19-13(16)18-8-4-2-1-3-5-8/h1-7H

InChI Key

IOSBJVBRARMHNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00602267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.254

Distribution Coefficient, logD

3.254

Water Solubility, LogSw

-3.36

Polar Surface Area

50.787

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0331-0279 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0331-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0331-0279?
Check Price and Availability of 0331-0279, 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 0331-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0331-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0331-0279
  • 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 0331-0279 available by request