J046-0404 Screening compound: N-(2-{[(4-chloro-2-methylphenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide

J046-0404 Screening compound: N-(2-{[(4-chloro-2-methylphenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide
J046-0404 Screening compound: N-(2-{[(4-chloro-2-methylphenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0404
N-(2-{[(4-chloro-2-methylphenyl)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

J046-0404

Molecular Formula

C22H21ClN4O3 (C22 H21 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(NC1=CC(c2ccccc2)=NN(CC(Nc(cc2)c(C)cc2Cl)=O)C1=O)=O

InChI

InChI=1S/C22H21ClN4O3/c1-3-20(28)25-19-12-18(15-7-5-4-6-8-15)26-27(22(19)30)13-21(29)24-17-10-9-16(23)11-14(17)2/h4-12H,3,13H2,1-2H3,(H,24,29)(H,25,28)

InChI Key

MGRCWZLUKRIHTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.89

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

3.690

Distribution Coefficient, logD

3.678

Water Solubility, LogSw

-4.01

Polar Surface Area

74.834

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with J046-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0404?
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What is the minimum amount of J046-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0404
  • 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 J046-0404 available by request