C566-0986 Screening compound: 6,8-difluoro-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one

C566-0986 Screening compound: 6,8-difluoro-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one
C566-0986 Screening compound: 6,8-difluoro-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C566-0986
6,8-difluoro-3-(4-methoxybenzenesulfonyl)-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

C566-0986

Molecular Formula

C16H10F2O5S (C16 H10 F2 O5 S)

Compound Name

6,8-difluoro-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one

IUPAC name

68-difluoro-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one

SMILES

COc(cc1)ccc1S(C1=Cc(cc(cc2F)F)c2OC1=O)(=O)=O

InChI

InChI=1S/C16H10F2O5S/c1-22-11-2-4-12(5-3-11)24(20,21)14-7-9-6-10(17)8-13(18)15(9)23-16(14)19/h2-8H,1H3

InChI Key

BDIWCWSDSQHJGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.32

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

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.49

Polar Surface Area

57.889

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C566-0986 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C566-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C566-0986?
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What is the minimum amount of C566-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C566-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C566-0986
  • 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 C566-0986 available by request