1254-0226 Screening compound: 4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

1254-0226 Screening compound: 4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1254-0226 Screening compound: 4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1254-0226
4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-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

1254-0226

Molecular Formula

C11H13N3O (C11 H13 N3 O)

Compound Name

4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-amino-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1N

InChI

InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3

InChI Key

RLFWWDJHLFCNIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00003145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.277

Distribution Coefficient, logD

0.275

Water Solubility, LogSw

-0.65

Polar Surface Area

41.527

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

1254-0226 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 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
  • Pool
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Eye
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1254-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1254-0226?
Check Price and Availability of 1254-0226, 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 1254-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1254-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1254-0226
  • 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 1254-0226 available by request