4424-0418 Screening compound: 5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

4424-0418 Screening compound: 5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one
4424-0418 Screening compound: 5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0418
5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-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

4424-0418

Molecular Formula

C28H34N2O6 (C28 H34 N2 O6)

Compound Name

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

IUPAC name

5-(34-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-25-dihydro-1H-pyrrol-2-one

SMILES

Cc(cc(cc1)C(C(C(c(cc2)cc(OC)c2OC)N(CCCN(C)C)C2=O)=C2O)=O)c1OCC=C

InChI

InChI=1S/C28H34N2O6/c1-7-15-36-21-11-10-20(16-18(21)2)26(31)24-25(19-9-12-22(34-5)23(17-19)35-6)30(28(33)27(24)32)14-8-13-29(3)4/h7,9-12,16-17,25,32H,1,8,13-15H2,2-6H3/t25-/m0/s1

InChI Key

WSJNCELKNHSFLP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03274522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-3.56

Polar Surface Area

71.708

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

4424-0418 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 4424-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0418?
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What is the minimum amount of 4424-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0418
  • 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 4424-0418 available by request