4593-1483 Screening compound: ethyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

4593-1483 Screening compound: ethyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
4593-1483 Screening compound: ethyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-1483
ethyl 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

4593-1483

Molecular Formula

C21H19ClO6 (C21 H19 ClO6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H19ClO6/c1-4-25-19(23)11-26-14-5-6-16-17(9-14)27-10-18(21(16)24)28-15-7-12(2)20(22)13(3)8-15/h5-10H,4,11H2,1-3H3

InChI Key

RXTSOJDAMYMXKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02957510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.83

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

4.451

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.76

Polar Surface Area

55.228

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4593-1483 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 4593-1483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-1483?
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What is the minimum amount of 4593-1483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-1483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-1483
  • 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 4593-1483 available by request