4593-1443 Screening compound: propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

4593-1443 Screening compound: propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
4593-1443 Screening compound: propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-1443
propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

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

4593-1443

Molecular Formula

C20H17ClO6 (C20 H17 ClO6)

Compound Name

propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

CCCOC(COc(cc1)cc(OC=C2Oc(cccc3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C20H17ClO6/c1-2-9-24-19(22)12-25-13-7-8-14-17(10-13)26-11-18(20(14)23)27-16-6-4-3-5-15(16)21/h3-8,10-11H,2,9,12H2,1H3

InChI Key

RDXUQDCPWSIXLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02957462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.834

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-4.19

Polar Surface Area

55.609

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4593-1443 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 4593-1443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-1443?
Check Price and Availability of 4593-1443, 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 4593-1443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-1443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-1443
  • 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 4593-1443 available by request