J046-0439 Screening compound: N-(2-{[(naphthalen-1-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide

J046-0439 Screening compound: N-(2-{[(naphthalen-1-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide
J046-0439 Screening compound: N-(2-{[(naphthalen-1-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0439
N-(2-{[(naphthalen-1-yl)carbamoyl]methyl}-3-oxo-6-phenyl-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

J046-0439

Molecular Formula

C25H22N4O3 (C25 H22 N4 O3)

Compound Name

N-(2-{[(naphthalen-1-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide

IUPAC name

N-(2-{[(naphthalen-1-yl)carbamoyl]methyl}-3-oxo-6-phenyl-23-dihydropyridazin-4-yl)propanamide

SMILES

CCC(NC1=CC(c2ccccc2)=NN(CC(Nc2cccc3ccccc23)=O)C1=O)=O

InChI

InChI=1S/C25H22N4O3/c1-2-23(30)27-22-15-21(18-10-4-3-5-11-18)28-29(25(22)32)16-24(31)26-20-14-8-12-17-9-6-7-13-19(17)20/h3-15H,2,16H2,1H3,(H,26,31)(H,27,30)

InChI Key

AVDDJLJAJFGSPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

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

3.398

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.50

Polar Surface Area

74.563

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with J046-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0439?
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What is the minimum amount of J046-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0439
  • 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 J046-0439 available by request