C587-0005 Screening compound: 3-(4-ethoxybenzoyl)-7-hydroxy-2H-chromen-2-one

C587-0005 Screening compound: 3-(4-ethoxybenzoyl)-7-hydroxy-2H-chromen-2-one
C587-0005 Screening compound: 3-(4-ethoxybenzoyl)-7-hydroxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C587-0005
3-(4-ethoxybenzoyl)-7-hydroxy-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

C587-0005

Molecular Formula

C18H14O5 (C18 H14 O5)

Compound Name

3-(4-ethoxybenzoyl)-7-hydroxy-2H-chromen-2-one

IUPAC name

3-(4-ethoxybenzoyl)-7-hydroxy-2H-chromen-2-one

SMILES

CCOc(cc1)ccc1C(C1=Cc(ccc(O)c2)c2OC1=O)=O

InChI

InChI=1S/C18H14O5/c1-2-22-14-7-4-11(5-8-14)17(20)15-9-12-3-6-13(19)10-16(12)23-18(15)21/h3-10,19H,2H2,1H3

InChI Key

VGTMSXHVCDAWEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.079

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-3.20

Polar Surface Area

59.368

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C587-0005 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C587-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C587-0005?
Check Price and Availability of C587-0005, 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 C587-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C587-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C587-0005
  • 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 C587-0005 available by request