0331-0271 Screening compound: 5-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-6-yl ethyl carbonate

0331-0271 Screening compound: 5-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-6-yl ethyl carbonate
0331-0271 Screening compound: 5-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-6-yl ethyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0331-0271
5-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-6-yl ethyl 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

0331-0271

Molecular Formula

C10H6ClNO7S (C10 H6 ClNO7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(Oc(c(Cl)c1[N+]([O-])=O)cc(O2)c1SC2=O)=O

InChI

InChI=1S/C10H6ClNO7S/c1-2-17-9(13)18-4-3-5-8(20-10(14)19-5)7(6(4)11)12(15)16/h3H,2H2,1H3

InChI Key

DOZLXPDOAYOVMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00422012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.120

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-3.31

Polar Surface Area

83.942

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0331-0271 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0331-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0331-0271?
Check Price and Availability of 0331-0271, 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 0331-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0331-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0331-0271
  • 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 0331-0271 available by request