D048-0026 Screening compound: 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde

D048-0026 Screening compound: 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
D048-0026 Screening compound: 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0026
3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde

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

D048-0026

Molecular Formula

C12H12N2O (C12 H12 N2 O)

Compound Name

3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde

IUPAC name

35-dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde

SMILES

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

InChI

InChI=1S/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3

InChI Key

VOMRTQQGXWPTJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00051396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.738

Distribution Coefficient, logD

1.738

Water Solubility, LogSw

-1.56

Polar Surface Area

28.816

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D048-0026 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D048-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0026?
Check Price and Availability of D048-0026, 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 D048-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0026
  • 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 D048-0026 available by request