4593-1534 Screening compound: propan-2-yl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

4593-1534 Screening compound: propan-2-yl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
4593-1534 Screening compound: propan-2-yl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-1534
propan-2-yl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-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

4593-1534

Molecular Formula

C22H21ClO6 (C22 H21 ClO6)

Compound Name

propan-2-yl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

propan-2-yl 2-{[3-(4-chloro-35-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

CC(C)OC(COc(cc1)cc(OC=C2Oc(cc3C)cc(C)c3Cl)c1C2=O)=O

InChI

InChI=1S/C22H21ClO6/c1-12(2)28-20(24)11-26-15-5-6-17-18(9-15)27-10-19(22(17)25)29-16-7-13(3)21(23)14(4)8-16/h5-10,12H,11H2,1-4H3

InChI Key

LRJMBNHQHAFBRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02957577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-4.95

Polar Surface Area

54.907

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4593-1534 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 4593-1534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-1534?
Check Price and Availability of 4593-1534, 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 4593-1534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-1534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-1534
  • 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 4593-1534 available by request