J046-0041 Screening compound: N-(2,6-dimethylphenyl)-2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamide

J046-0041 Screening compound: N-(2,6-dimethylphenyl)-2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamide
J046-0041 Screening compound: N-(2,6-dimethylphenyl)-2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0041
N-(2,6-dimethylphenyl)-2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)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

J046-0041

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

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

IUPAC name

N-(26-dimethylphenyl)-2-(5-acetamido-6-oxo-3-phenyl-16-dihydropyridazin-1-yl)acetamide

SMILES

CC(NC1=CC(c2ccccc2)=NN(CC(Nc2c(C)cccc2C)=O)C1=O)=O

InChI

InChI=1S/C22H22N4O3/c1-14-8-7-9-15(2)21(14)24-20(28)13-26-22(29)19(23-16(3)27)12-18(25-26)17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,23,27)(H,24,28)

InChI Key

NGHIXXALBAQTNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.515

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-2.52

Polar Surface Area

74.249

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

J046-0041 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with J046-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0041?
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What is the minimum amount of J046-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0041
  • 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 J046-0041 available by request