4593-1580 Screening compound: 2-ethoxyethyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

4593-1580 Screening compound: 2-ethoxyethyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate
4593-1580 Screening compound: 2-ethoxyethyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-1580
2-ethoxyethyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

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

4593-1580

Molecular Formula

C22H21ClO7 (C22 H21 ClO7)

Compound Name

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

IUPAC name

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

SMILES

CCOCCOC(C(C)Oc(cc1)cc(OC=C2Oc(cccc3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C22H21ClO7/c1-3-26-10-11-27-22(25)14(2)29-15-8-9-16-19(12-15)28-13-20(21(16)24)30-18-7-5-4-6-17(18)23/h4-9,12-14H,3,10-11H2,1-2H3/t14-/m0/s1

InChI Key

NXPLDAUYCRLMSD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02957633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-3.90

Polar Surface Area

63.471

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4593-1580 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4593-1580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-1580?
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What is the minimum amount of 4593-1580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-1580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-1580
  • 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 4593-1580 available by request