6047-0019 Screening compound: methyl 5-(4-methylphenyl)-1H-pyrazole-3-carboxylate

6047-0019 Screening compound: methyl 5-(4-methylphenyl)-1H-pyrazole-3-carboxylate
6047-0019 Screening compound: methyl 5-(4-methylphenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6047-0019
methyl 5-(4-methylphenyl)-1H-pyrazole-3-carboxylate

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

6047-0019

Molecular Formula

C12H12N2O2 (C12 H12 N2 O2)

Compound Name

methyl 5-(4-methylphenyl)-1H-pyrazole-3-carboxylate

IUPAC name

methyl 5-(4-methylphenyl)-1H-pyrazole-3-carboxylate

SMILES

Cc(cc1)ccc1-c1cc(C(OC)=O)n[nH]1

InChI

InChI=1S/C12H12N2O2/c1-8-3-5-9(6-4-8)10-7-11(14-13-10)12(15)16-2/h3-7H,1-2H3,(H,13,14)

InChI Key

QQBASWCUEOBWNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03778978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-3.09

Polar Surface Area

43.902

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6047-0019 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

Human Phosphatases Annotated Library (206 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6047-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6047-0019?
Check Price and Availability of 6047-0019, 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 6047-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6047-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6047-0019
  • 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 6047-0019 available by request