4424-0004 Screening compound: 1-[2-(dimethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4424-0004 Screening compound: 1-[2-(dimethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4424-0004 Screening compound: 1-[2-(dimethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0004
1-[2-(dimethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-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

4424-0004

Molecular Formula

C27H32N2O5 (C27 H32 N2 O5)

Compound Name

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

IUPAC name

1-[2-(dimethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-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(CCN(C)C)C1=O)=C1O)=O

InChI

InChI=1S/C27H32N2O5/c1-6-16-34-21-11-8-19(9-12-21)24-23(26(31)27(32)29(24)15-14-28(4)5)25(30)20-10-13-22(33-7-2)18(3)17-20/h6,8-13,17,24,31H,1,7,14-16H2,2-5H3/t24-/m0/s1

InChI Key

XMGYDBGXGBGGLQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04587783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-4.15

Polar Surface Area

63.570

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4424-0004 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 4424-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0004?
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What is the minimum amount of 4424-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0004
  • 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 4424-0004 available by request