5593-2394 Screening compound: ethyl 4-{3-[4-(2-hydroxyphenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

5593-2394 Screening compound: ethyl 4-{3-[4-(2-hydroxyphenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
5593-2394 Screening compound: ethyl 4-{3-[4-(2-hydroxyphenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2394
ethyl 4-{3-[4-(2-hydroxyphenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

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

5593-2394

Molecular Formula

C23H25N3O5 (C23 H25 N3 O5)

Compound Name

ethyl 4-{3-[4-(2-hydroxyphenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

IUPAC name

ethyl 4-{3-[4-(2-hydroxyphenyl)piperazin-1-yl]-25-dioxopyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCN2c(cccc2)c2O)=O)C1=O)=O

InChI

InChI=1S/C23H25N3O5/c1-2-31-23(30)16-7-9-17(10-8-16)26-21(28)15-19(22(26)29)25-13-11-24(12-14-25)18-5-3-4-6-20(18)27/h3-10,19,27H,2,11-15H2,1H3/t19-/m0/s1

InChI Key

OEJGIIYVZRNNIT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03487331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.512

Distribution Coefficient, logD

2.512

Water Solubility, LogSw

-2.50

Polar Surface Area

72.249

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

5593-2394 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 5593-2394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2394?
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What is the minimum amount of 5593-2394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2394
  • 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 5593-2394 available by request