J046-0019 Screening compound: 2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

J046-0019 Screening compound: 2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
J046-0019 Screening compound: 2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0019
2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

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

J046-0019

Molecular Formula

C21H17F3N4O3 (C21 H17 F3 N4 O3)

Compound Name

2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(5-acetamido-6-oxo-3-phenyl-16-dihydropyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

CC(NC1=CC(c2ccccc2)=NN(CC(Nc2cccc(C(F)(F)F)c2)=O)C1=O)=O

InChI

InChI=1S/C21H17F3N4O3/c1-13(29)25-18-11-17(14-6-3-2-4-7-14)27-28(20(18)31)12-19(30)26-16-9-5-8-15(10-16)21(22,23)24/h2-11H,12H2,1H3,(H,25,29)(H,26,30)

InChI Key

LFDPXXHQFJCPOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.374

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.76

Polar Surface Area

75.644

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J046-0019 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J046-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0019?
Check Price and Availability of J046-0019, 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 J046-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0019
  • 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 J046-0019 available by request