4424-0053 Screening compound: 4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4424-0053 Screening compound: 4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4424-0053 Screening compound: 4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0053
4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)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

4424-0053

Molecular Formula

C30H38N2O5 (C30 H38 N2 O5)

Compound Name

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

SMILES

CCOc(cc1)c(C)cc1C(C(C(c1ccc(C(C)C)cc1)N(CCCN1CCOCC1)C1=O)=C1O)=O

InChI

InChI=1S/C30H38N2O5/c1-5-37-25-12-11-24(19-21(25)4)28(33)26-27(23-9-7-22(8-10-23)20(2)3)32(30(35)29(26)34)14-6-13-31-15-17-36-18-16-31/h7-12,19-20,27,34H,5-6,13-18H2,1-4H3/t27-/m0/s1

InChI Key

LKDUCVMAOOVXEG-MHZLTWQESA-N

MDL Number (MFCD)

MFCD03226088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.696

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.35

Polar Surface Area

63.907

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

4424-0053 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4424-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0053?
Check Price and Availability of 4424-0053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4424-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0053
  • 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 4424-0053 available by request