C566-1049 Screening compound: 3-(benzenesulfonyl)-6-bromo-8-methoxy-2H-chromen-2-one

C566-1049 Screening compound: 3-(benzenesulfonyl)-6-bromo-8-methoxy-2H-chromen-2-one
C566-1049 Screening compound: 3-(benzenesulfonyl)-6-bromo-8-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C566-1049
3-(benzenesulfonyl)-6-bromo-8-methoxy-2H-chromen-2-one

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

C566-1049

Molecular Formula

C16H11BrO5S (C16 H11 BrO5 S)

Compound Name

3-(benzenesulfonyl)-6-bromo-8-methoxy-2H-chromen-2-one

IUPAC name

3-(benzenesulfonyl)-6-bromo-8-methoxy-2H-chromen-2-one

SMILES

COc(cc(cc1C=C2S(c3ccccc3)(=O)=O)Br)c1OC2=O

InChI

InChI=1S/C16H11BrO5S/c1-21-13-9-11(17)7-10-8-14(16(18)22-15(10)13)23(19,20)12-5-3-2-4-6-12/h2-9H,1H3

InChI Key

GDRCHQWVOAXQPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.488

Distribution Coefficient, logD

3.488

Water Solubility, LogSw

-3.84

Polar Surface Area

57.976

Acid Dissociation Constant (pKa)

33.05

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C566-1049 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C566-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C566-1049?
Check Price and Availability of C566-1049, 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 C566-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C566-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C566-1049
  • 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 C566-1049 available by request