C566-0036 Screening compound: 8-ethoxy-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one

C566-0036 Screening compound: 8-ethoxy-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one
C566-0036 Screening compound: 8-ethoxy-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C566-0036
8-ethoxy-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

C566-0036

Molecular Formula

C18H16O6S (C18 H16 O6 S)

Compound Name

8-ethoxy-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one

IUPAC name

8-ethoxy-3-(4-methoxybenzenesulfonyl)-2H-chromen-2-one

SMILES

CCOc1cccc(C=C2S(c(cc3)ccc3OC)(=O)=O)c1OC2=O

InChI

InChI=1S/C18H16O6S/c1-3-23-15-6-4-5-12-11-16(18(19)24-17(12)15)25(20,21)14-9-7-13(22-2)8-10-14/h4-11H,3H2,1-2H3

InChI Key

YNZXULJGZRFKHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.54

Polar Surface Area

65.099

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C566-0036 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C566-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C566-0036?
Check Price and Availability of C566-0036, 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 C566-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C566-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C566-0036
  • 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 C566-0036 available by request