0099-0334 Screening compound: 4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

0099-0334 Screening compound: 4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
0099-0334 Screening compound: 4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0334
4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-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

0099-0334

Molecular Formula

C17H14N2O2 (C17 H14 N2 O2)

Compound Name

4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

4-benzoyl-3-methyl-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(C(C(c1ccccc1)=O)C1=O)=NN1c1ccccc1

InChI

InChI=1S/C17H14N2O2/c1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14/h2-11,15H,1H3/t15-/m1/s1

InChI Key

JDOLPAMOKSAEMD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00003136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.513

Distribution Coefficient, logD

-0.923

Water Solubility, LogSw

-2.60

Polar Surface Area

39.325

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

0099-0334 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0099-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0334?
Check Price and Availability of 0099-0334, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0099-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0334
  • 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 0099-0334 available by request