8006-8358 Screening compound: 6-bromo-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chloroethyl carbonate

8006-8358 Screening compound: 6-bromo-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chloroethyl carbonate
8006-8358 Screening compound: 6-bromo-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chloroethyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8358
6-bromo-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chloroethyl 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

8006-8358

Molecular Formula

C10H5BrClNO7S (C10 H5 BrClNO7 S)

Compound Name

6-bromo-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl 2-chloroethyl carbonate

IUPAC name

6-bromo-4-nitro-2-oxo-2H-13-benzoxathiol-5-yl 2-chloroethyl carbonate

SMILES

[O-][N+](c(c(OC(OCCCl)=O)c(cc1O2)Br)c1SC2=O)=O

InChI

InChI=1S/C10H5BrClNO7S/c11-4-3-5-8(21-10(15)19-5)6(13(16)17)7(4)20-9(14)18-2-1-12/h3H,1-2H2

InChI Key

BXUYXGCHMLKIII-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.57

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

2.427

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-2.75

Polar Surface Area

84.323

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8006-8358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8358?
Check Price and Availability of 8006-8358, 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 8006-8358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8358
  • 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 8006-8358 available by request