D522-0091 Screening compound: N-(3-acetylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

D522-0091 Screening compound: N-(3-acetylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
D522-0091 Screening compound: N-(3-acetylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D522-0091
N-(3-acetylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-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

D522-0091

Molecular Formula

C14H12F3N3O2 (C14 H12 F3 N3 O2)

Compound Name

N-(3-acetylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

IUPAC name

N-(3-acetylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

SMILES

CC(c1cccc(NC(c2nn(C)c(C(F)(F)F)c2)=O)c1)=O

InChI

InChI=1S/C14H12F3N3O2/c1-8(21)9-4-3-5-10(6-9)18-13(22)11-7-12(14(15,16)17)20(2)19-11/h3-7H,1-2H3,(H,18,22)

InChI Key

PVTUJCDUWHPMNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-3.01

Polar Surface Area

50.672

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D522-0091 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D522-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D522-0091?
Check Price and Availability of D522-0091, 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 D522-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D522-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D522-0091
  • 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 D522-0091 available by request