4424-0066 Screening compound: 1-[2-(diethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

4424-0066 Screening compound: 1-[2-(diethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one
4424-0066 Screening compound: 1-[2-(diethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0066
1-[2-(diethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-(4-methylphenyl)-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

4424-0066

Molecular Formula

C27H34N2O4 (C27 H34 N2 O4)

Compound Name

1-[2-(diethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-[2-(diethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-5-(4-methylphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CCN(CC)CCN(C(C(C(c(cc1)cc(C)c1OCC)=O)=C1O)c2ccc(C)cc2)C1=O

InChI

InChI=1S/C27H34N2O4/c1-6-28(7-2)15-16-29-24(20-11-9-18(4)10-12-20)23(26(31)27(29)32)25(30)21-13-14-22(33-8-3)19(5)17-21/h9-14,17,24,31H,6-8,15-16H2,1-5H3/t24-/m0/s1

InChI Key

CEVWDYIVLHKQFV-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03461743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.789

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-4.35

Polar Surface Area

55.698

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

4424-0066 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 4424-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0066?
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What is the minimum amount of 4424-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0066
  • 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 4424-0066 available by request