0804-0056 Screening compound: 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

0804-0056 Screening compound: 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
0804-0056 Screening compound: 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0804-0056
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-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

0804-0056

Molecular Formula

C10H10N2O (C10 H10 N2 O)

Compound Name

5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

IUPAC name

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

SMILES

CC(CC1=O)=NN1c1ccccc1

InChI

InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI Key

QELUYTUMUWHWMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00003138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

174.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.350

Distribution Coefficient, logD

0.260

Water Solubility, LogSw

-1.78

Polar Surface Area

26.939

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0804-0056 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments
  • Pool

References: we are preparing a list of scientific research reports with 0804-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0804-0056?
Check Price and Availability of 0804-0056, 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 0804-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0804-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0804-0056
  • 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 0804-0056 available by request