8008-9987 Screening compound: 4-acetyl-1-benzyl-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

8008-9987 Screening compound: 4-acetyl-1-benzyl-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
8008-9987 Screening compound: 4-acetyl-1-benzyl-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9987
4-acetyl-1-benzyl-5-(2-fluorophenyl)-3-hydroxy-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

8008-9987

Molecular Formula

C19H16FNO3 (C19 H16 FNO3)

Compound Name

4-acetyl-1-benzyl-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-acetyl-1-benzyl-5-(2-fluorophenyl)-3-hydroxy-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C(C(c(cccc1)c1F)N(Cc1ccccc1)C1=O)=C1O)=O

InChI

InChI=1S/C19H16FNO3/c1-12(22)16-17(14-9-5-6-10-15(14)20)21(19(24)18(16)23)11-13-7-3-2-4-8-13/h2-10,17,23H,11H2,1H3/t17-/m1/s1

InChI Key

ZJYGFKZXBKEAHE-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01460685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-2.53

Polar Surface Area

45.186

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8008-9987 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8008-9987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9987?
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What is the minimum amount of 8008-9987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9987
  • 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 8008-9987 available by request