8016-6746 Screening compound: 1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

8016-6746 Screening compound: 1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
8016-6746 Screening compound: 1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6746
1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

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

8016-6746

Molecular Formula

C12H10F3N3O (C12 H10 F3 N3 O)

Compound Name

1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

IUPAC name

1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

SMILES

Cn1nccc1C(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C12H10F3N3O/c1-18-10(5-6-16-18)11(19)17-9-4-2-3-8(7-9)12(13,14)15/h2-7H,1H3,(H,17,19)

InChI Key

OIWKXHXUKUSKTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.416

Water Solubility, LogSw

-3.10

Polar Surface Area

36.980

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8016-6746 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-6746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6746?
Check Price and Availability of 8016-6746, 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 8016-6746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6746
  • 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 8016-6746 available by request