J046-0478 Screening compound: N-(2-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)propanamide

J046-0478 Screening compound: N-(2-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)propanamide
J046-0478 Screening compound: N-(2-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0478
N-(2-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)propanamide

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

J046-0478

Molecular Formula

C22H20ClFN4O3 (C22 H20 ClFN4 O3)

Compound Name

N-(2-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)propanamide

IUPAC name

N-(2-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-6-(4-methylphenyl)-3-oxo-23-dihydropyridazin-4-yl)propanamide

SMILES

CCC(NC1=CC(c2ccc(C)cc2)=NN(CC(Nc(cc2)cc(Cl)c2F)=O)C1=O)=O

InChI

InChI=1S/C22H20ClFN4O3/c1-3-20(29)26-19-11-18(14-6-4-13(2)5-7-14)27-28(22(19)31)12-21(30)25-15-8-9-17(24)16(23)10-15/h4-11H,3,12H2,1-2H3,(H,25,30)(H,26,29)

InChI Key

DODZYSHFIWOTNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.88

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

4.087

Distribution Coefficient, logD

4.076

Water Solubility, LogSw

-4.47

Polar Surface Area

75.532

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

J046-0478 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J046-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0478?
Check Price and Availability of J046-0478, 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 J046-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0478
  • 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 J046-0478 available by request