P059-0336 Screening compound: N-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methyl}-3-(trifluoromethyl)benzamide

P059-0336 Screening compound: N-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methyl}-3-(trifluoromethyl)benzamide
P059-0336 Screening compound: N-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methyl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P059-0336
N-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methyl}-3-(trifluoromethyl)benzamide

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

P059-0336

Molecular Formula

C20H18F3N3O (C20 H18 F3 N3 O)

Compound Name

N-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methyl}-3-(trifluoromethyl)benzamide

IUPAC name

N-{[4-(35-dimethyl-1H-pyrazol-1-yl)phenyl]methyl}-3-(trifluoromethyl)benzamide

SMILES

Cc1cc(C)nn1-c1ccc(CNC(c2cccc(C(F)(F)F)c2)=O)cc1

InChI

InChI=1S/C20H18F3N3O/c1-13-10-14(2)26(25-13)18-8-6-15(7-9-18)12-24-19(27)16-4-3-5-17(11-16)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)

InChI Key

JGOBWTVNVSXMDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.69

Polar Surface Area

38.523

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P059-0336 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with P059-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P059-0336?
Check Price and Availability of P059-0336, 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 P059-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P059-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P059-0336
  • 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 P059-0336 available by request