8013-0781 Screening compound: 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylbenzoyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one

8013-0781 Screening compound: 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylbenzoyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
8013-0781 Screening compound: 5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylbenzoyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0781
5-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylbenzoyl)-1-[2-(morpholin-4-yl)ethyl]-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

8013-0781

Molecular Formula

C26H31N3O4 (C26 H31 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(C(C(c(cc1)ccc1N(C)C)N(CCN1CCOCC1)C1=O)=C1O)=O

InChI

InChI=1S/C26H31N3O4/c1-18-4-6-20(7-5-18)24(30)22-23(19-8-10-21(11-9-19)27(2)3)29(26(32)25(22)31)13-12-28-14-16-33-17-15-28/h4-11,23,31H,12-17H2,1-3H3/t23-/m0/s1

InChI Key

XJKKCVJVMCEOED-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03288445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.824

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-2.90

Polar Surface Area

59.501

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8013-0781 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 8013-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0781?
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What is the minimum amount of 8013-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0781
  • 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 8013-0781 available by request