8009-8857 Screening compound: 5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl N-butylcarbamate

8009-8857 Screening compound: 5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl N-butylcarbamate
8009-8857 Screening compound: 5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl N-butylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8857
5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl N-butylcarbamate

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

8009-8857

Molecular Formula

C12H11Br2NO4S (C12 H11 Br2 NO4 S)

Compound Name

5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl N-butylcarbamate

IUPAC name

57-dibromo-2-oxo-2H-13-benzoxathiol-6-yl N-butylcarbamate

SMILES

CCCCNC(Oc(c(Br)cc(S1)c2OC1=O)c2Br)=O

InChI

InChI=1S/C12H11Br2NO4S/c1-2-3-4-15-11(16)18-9-6(13)5-7-10(8(9)14)19-12(17)20-7/h5H,2-4H2,1H3,(H,15,16)

InChI Key

IEFKXXSJIRTNCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.437

Distribution Coefficient, logD

4.437

Water Solubility, LogSw

-4.34

Polar Surface Area

54.671

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8009-8857 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-8857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8857?
Check Price and Availability of 8009-8857, 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 8009-8857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8857
  • 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 8009-8857 available by request