C566-0895 Screening compound: 3-(benzenesulfonyl)-6-methyl-2H-chromen-2-one

C566-0895 Screening compound: 3-(benzenesulfonyl)-6-methyl-2H-chromen-2-one
C566-0895 Screening compound: 3-(benzenesulfonyl)-6-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C566-0895
3-(benzenesulfonyl)-6-methyl-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

C566-0895

Molecular Formula

C16H12O4S (C16 H12 O4 S)

Compound Name

3-(benzenesulfonyl)-6-methyl-2H-chromen-2-one

IUPAC name

3-(benzenesulfonyl)-6-methyl-2H-chromen-2-one

SMILES

Cc(cc1)cc(C=C2S(c3ccccc3)(=O)=O)c1OC2=O

InChI

InChI=1S/C16H12O4S/c1-11-7-8-14-12(9-11)10-15(16(17)20-14)21(18,19)13-5-3-2-4-6-13/h2-10H,1H3

InChI Key

YTADRHYOUNHSDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.25

Polar Surface Area

50.661

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C566-0895 in Drug Discovery

Included in Screening Libraries

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 C566-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C566-0895?
Check Price and Availability of C566-0895, 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 C566-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C566-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C566-0895
  • 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 C566-0895 available by request