1980-1261 Screening compound: 4-BROMO-6-CHLORO-2-OXO-2H-1,3-BENZOXATHIOL-5-YL ETHYL CARBONATE

1980-1261 Screening compound: 4-BROMO-6-CHLORO-2-OXO-2H-1,3-BENZOXATHIOL-5-YL ETHYL CARBONATE
1980-1261 Screening compound: 4-BROMO-6-CHLORO-2-OXO-2H-1,3-BENZOXATHIOL-5-YL ETHYL CARBONATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1980-1261
4-BROMO-6-CHLORO-2-OXO-2H-1,3-BENZOXATHIOL-5-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

1980-1261

Molecular Formula

C10H6BrClO5S (C10 H6 BrClO5 S)

Compound Name

4-BROMO-6-CHLORO-2-OXO-2H-1,3-BENZOXATHIOL-5-YL ETHYL CARBONATE

IUPAC name

n/a

SMILES

CCOC(Oc(c(Cl)cc(O1)c2SC1=O)c2Br)=O

InChI

InChI=1S/C10H6BrClO5S/c1-2-15-9(13)17-7-4(12)3-5-8(6(7)11)18-10(14)16-5/h3H,2H2,1H3

InChI Key

BUAKBZQBLYANHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.58

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

3.043

Distribution Coefficient, logD

3.043

Water Solubility, LogSw

-3.28

Polar Surface Area

51.249

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

1980-1261 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 1980-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1980-1261?
Check Price and Availability of 1980-1261, 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 1980-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1980-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1980-1261
  • 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 1980-1261 available by request