4393-0276 Screening compound: 4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one

4393-0276 Screening compound: 4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one
4393-0276 Screening compound: 4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0276
4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-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

4393-0276

Molecular Formula

C22H23NO6 (C22 H23 NO6)

Compound Name

4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-25-dihydro-1H-pyrrol-2-one

SMILES

COCCCN(C(C(C(c1ccccc1)=O)=C1O)c(cc2)cc(OC)c2O)C1=O

InChI

InChI=1S/C22H23NO6/c1-28-12-6-11-23-19(15-9-10-16(24)17(13-15)29-2)18(21(26)22(23)27)20(25)14-7-4-3-5-8-14/h3-5,7-10,13,19,24,26H,6,11-12H2,1-2H3/t19-/m0/s1

InChI Key

HHYIYTUOPBRSDI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02231009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.003

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.53

Polar Surface Area

77.598

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4393-0276 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 4393-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0276?
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What is the minimum amount of 4393-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0276
  • 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 4393-0276 available by request