R304-0005 Screening compound: 3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid

R304-0005 Screening compound: 3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
R304-0005 Screening compound: 3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R304-0005
3-(1-benzyl-3,5-dimethyl-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

R304-0005

Molecular Formula

C15H18N2O2 (C15 H18 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCC(O)=O)c(C)nn1Cc1ccccc1

InChI

InChI=1S/C15H18N2O2/c1-11-14(8-9-15(18)19)12(2)17(16-11)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,19)

InChI Key

QERVLMFEJQUIMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02975822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.891

Distribution Coefficient, logD

-0.936

Water Solubility, LogSw

-1.97

Polar Surface Area

42.904

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

R304-0005 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with R304-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R304-0005?
Check Price and Availability of R304-0005, 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 R304-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R304-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R304-0005
  • 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 R304-0005 available by request