0665-0074 Screening compound: 6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylpropyl carbonate

0665-0074 Screening compound: 6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylpropyl carbonate
0665-0074 Screening compound: 6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylpropyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0665-0074
6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylpropyl 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

0665-0074

Molecular Formula

C12H10ClNO7S (C12 H10 ClNO7 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C12H10ClNO7S/c1-5(2)4-19-11(15)21-9-6(13)3-7-10(8(9)14(17)18)22-12(16)20-7/h3,5H,4H2,1-2H3

InChI Key

ABYWBSLZPDWOHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00781340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.76

Polar Surface Area

84.405

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0665-0074 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 0665-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0665-0074?
Check Price and Availability of 0665-0074, 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 0665-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0665-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0665-0074
  • 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 0665-0074 available by request