4424-0796 Screening compound: 1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4424-0796 Screening compound: 1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4424-0796 Screening compound: 1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0796
1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-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

4424-0796

Molecular Formula

C29H36N2O5 (C29 H36 N2 O5)

Compound Name

1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-[3-(dimethylamino)propyl]-3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CCCOc(cc1)cc(C)c1C(C(C(c(cc1)ccc1OCC=C)N(CCCN(C)C)C1=O)=C1O)=O

InChI

InChI=1S/C29H36N2O5/c1-6-17-35-22-11-9-21(10-12-22)26-25(28(33)29(34)31(26)16-8-15-30(4)5)27(32)24-14-13-23(19-20(24)3)36-18-7-2/h6,9-14,19,26,33H,1,7-8,15-18H2,2-5H3/t26-/m0/s1

InChI Key

NPARZAQDRNSIQF-SANMLTNESA-N

MDL Number (MFCD)

MFCD03462231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.572

Distribution Coefficient, logD

2.623

Water Solubility, LogSw

-4.24

Polar Surface Area

63.778

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

4424-0796 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 4424-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0796?
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What is the minimum amount of 4424-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0796
  • 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 4424-0796 available by request