4424-0052 Screening compound: 4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4424-0052 Screening compound: 4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4424-0052 Screening compound: 4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0052
4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-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

4424-0052

Molecular Formula

C30H36N2O6 (C30 H36 N2 O6)

Compound Name

4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CCOc(cc1)c(C)cc1C(C(C(c(cc1)ccc1OCC=C)N(CCCN1CCOCC1)C1=O)=C1O)=O

InChI

InChI=1S/C30H36N2O6/c1-4-17-38-24-10-7-22(8-11-24)27-26(28(33)23-9-12-25(37-5-2)21(3)20-23)29(34)30(35)32(27)14-6-13-31-15-18-36-19-16-31/h4,7-12,20,27,34H,1,5-6,13-19H2,2-3H3/t27-/m0/s1

InChI Key

MQRFDLGZXYUBJJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD04492104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-3.79

Polar Surface Area

71.324

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4424-0052 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4424-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0052?
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What is the minimum amount of 4424-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0052
  • 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 4424-0052 available by request