4341-0070 Screening compound: 3-hydroxy-4-(4-methoxybenzoyl)-1-[2-(piperazin-1-yl)ethyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4341-0070 Screening compound: 3-hydroxy-4-(4-methoxybenzoyl)-1-[2-(piperazin-1-yl)ethyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4341-0070 Screening compound: 3-hydroxy-4-(4-methoxybenzoyl)-1-[2-(piperazin-1-yl)ethyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-0070
3-hydroxy-4-(4-methoxybenzoyl)-1-[2-(piperazin-1-yl)ethyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

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

4341-0070

Molecular Formula

C27H31N3O5 (C27 H31 N3 O5)

Compound Name

3-hydroxy-4-(4-methoxybenzoyl)-1-[2-(piperazin-1-yl)ethyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-4-(4-methoxybenzoyl)-1-[2-(piperazin-1-yl)ethyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

COc(cc1)ccc1C(C(C(c(cc1)ccc1OCC=C)N(CCN1CCNCC1)C1=O)=C1O)=O

InChI

InChI=1S/C27H31N3O5/c1-3-18-35-22-10-4-19(5-11-22)24-23(25(31)20-6-8-21(34-2)9-7-20)26(32)27(33)30(24)17-16-29-14-12-28-13-15-29/h3-11,24,28,32H,1,12-18H2,2H3/t24-/m0/s1

InChI Key

CEEMCFAATZFGNA-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03110195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.599

Distribution Coefficient, logD

1.147

Water Solubility, LogSw

-2.96

Polar Surface Area

75.710

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4341-0070 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4341-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-0070?
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What is the minimum amount of 4341-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-0070
  • 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 4341-0070 available by request