4424-0618 Screening compound: 4-(4-ethoxy-2-methylbenzoyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4424-0618 Screening compound: 4-(4-ethoxy-2-methylbenzoyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4424-0618 Screening compound: 4-(4-ethoxy-2-methylbenzoyl)-3-hydroxy-1-[2-(morpholin-4-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 4424-0618
4-(4-ethoxy-2-methylbenzoyl)-3-hydroxy-1-[2-(morpholin-4-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

4424-0618

Molecular Formula

C29H34N2O6 (C29 H34 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc(C)c1C(C(C(c(cc1)ccc1OCC=C)N(CCN1CCOCC1)C1=O)=C1O)=O

InChI

InChI=1S/C29H34N2O6/c1-4-16-37-22-8-6-21(7-9-22)26-25(27(32)24-11-10-23(36-5-2)19-20(24)3)28(33)29(34)31(26)13-12-30-14-17-35-18-15-30/h4,6-11,19,26,33H,1,5,12-18H2,2-3H3/t26-/m0/s1

InChI Key

VRVHCXDEOIYXKQ-SANMLTNESA-N

MDL Number (MFCD)

MFCD03225950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-3.81

Polar Surface Area

71.238

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

4424-0618 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4424-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0618?
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What is the minimum amount of 4424-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0618
  • 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 4424-0618 available by request