8007-4862 Screening compound: 3-methyl-5-(2-oxopropyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

8007-4862 Screening compound: 3-methyl-5-(2-oxopropyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
8007-4862 Screening compound: 3-methyl-5-(2-oxopropyl)-1-phenyl-1H-pyrazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4862
3-methyl-5-(2-oxopropyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

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

8007-4862

Molecular Formula

C14H14N2O3 (C14 H14 N2 O3)

Compound Name

3-methyl-5-(2-oxopropyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

IUPAC name

3-methyl-5-(2-oxopropyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

SMILES

CC(Cc1c(C(O)=O)c(C)nn1-c1ccccc1)=O

InChI

InChI=1S/C14H14N2O3/c1-9(17)8-12-13(14(18)19)10(2)15-16(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,19)

InChI Key

JVYLAXJJWDRRNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.162

Distribution Coefficient, logD

-3.629

Water Solubility, LogSw

-1.83

Polar Surface Area

55.910

Acid Dissociation Constant (pKa)

2.61

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8007-4862 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 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:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8007-4862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4862?
Check Price and Availability of 8007-4862, 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 8007-4862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4862
  • 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 8007-4862 available by request