8019-4698 Screening compound: 3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazole-4-carbaldehyde

8019-4698 Screening compound: 3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazole-4-carbaldehyde
8019-4698 Screening compound: 3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazole-4-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4698
3,5-dimethyl-1-(2-methylphenyl)-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

8019-4698

Molecular Formula

C13H14N2O (C13 H14 N2 O)

Compound Name

3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazole-4-carbaldehyde

IUPAC name

35-dimethyl-1-(2-methylphenyl)-1H-pyrazole-4-carbaldehyde

SMILES

Cc1c(C=O)c(C)nn1-c1c(C)cccc1

InChI

InChI=1S/C13H14N2O/c1-9-6-4-5-7-13(9)15-11(3)12(8-16)10(2)14-15/h4-8H,1-3H3

InChI Key

MXWICIXTAYJZCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07186415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

214.27

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

2.196

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-2.11

Polar Surface Area

28.515

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8019-4698 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8019-4698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4698?
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What is the minimum amount of 8019-4698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4698
  • 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 8019-4698 available by request