8020-5853 Screening compound: 4-benzoyl-3-hydroxy-1-(3-isopropoxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one

8020-5853 Screening compound: 4-benzoyl-3-hydroxy-1-(3-isopropoxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
8020-5853 Screening compound: 4-benzoyl-3-hydroxy-1-(3-isopropoxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5853
4-benzoyl-3-hydroxy-1-(3-isopropoxypropyl)-5-phenyl-1,5-dihydro-2H-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

8020-5853

Molecular Formula

C23H25NO4 (C23 H25 NO4)

Compound Name

4-benzoyl-3-hydroxy-1-(3-isopropoxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-benzoyl-3-hydroxy-5-phenyl-1-[3-(propan-2-yloxy)propyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)OCCCN(C(C(C(c1ccccc1)=O)=C1O)c2ccccc2)C1=O

InChI

InChI=1S/C23H25NO4/c1-16(2)28-15-9-14-24-20(17-10-5-3-6-11-17)19(22(26)23(24)27)21(25)18-12-7-4-8-13-18/h3-8,10-13,16,20,26H,9,14-15H2,1-2H3/t20-/m0/s1

InChI Key

KVVCWYFMAIHEQQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD09474975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.234

Water Solubility, LogSw

-3.38

Polar Surface Area

52.278

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8020-5853 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 8020-5853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5853?
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What is the minimum amount of 8020-5853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5853
  • 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 8020-5853 available by request