6228-0626 Screening compound: 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoic acid

6228-0626 Screening compound: 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoic acid
6228-0626 Screening compound: 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0626
3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoic 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

6228-0626

Molecular Formula

C14H16N2O2 (C14 H16 N2 O2)

Compound Name

3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoic acid

IUPAC name

3-(35-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoic acid

SMILES

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

InChI

InChI=1S/C14H16N2O2/c1-10-13(8-9-14(17)18)11(2)16(15-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,18)

InChI Key

MWQSXCADNTVCPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02975825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.900

Distribution Coefficient, logD

-0.927

Water Solubility, LogSw

-1.96

Polar Surface Area

43.040

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6228-0626 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0626?
Check Price and Availability of 6228-0626, 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 6228-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0626
  • 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 6228-0626 available by request