8008-4844 Screening compound: 4-acetyl-1-benzyl-5-(4-bromophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

8008-4844 Screening compound: 4-acetyl-1-benzyl-5-(4-bromophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
8008-4844 Screening compound: 4-acetyl-1-benzyl-5-(4-bromophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4844
4-acetyl-1-benzyl-5-(4-bromophenyl)-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

8008-4844

Molecular Formula

C19H16BrNO3 (C19 H16 BrNO3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(C(c(cc1)ccc1Br)N(Cc1ccccc1)C1=O)=C1O)=O

InChI

InChI=1S/C19H16BrNO3/c1-12(22)16-17(14-7-9-15(20)10-8-14)21(19(24)18(16)23)11-13-5-3-2-4-6-13/h2-10,17,23H,11H2,1H3/t17-/m1/s1

InChI Key

UQZBUENJCMSDKG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01305050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.24

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

3.215

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-2.99

Polar Surface Area

45.186

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8008-4844 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8008-4844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4844?
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What is the minimum amount of 8008-4844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4844
  • 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 8008-4844 available by request