J046-0022 Screening compound: N-(3-chloro-2-methylphenyl)-2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamide

J046-0022 Screening compound: N-(3-chloro-2-methylphenyl)-2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamide
J046-0022 Screening compound: N-(3-chloro-2-methylphenyl)-2-(5-acetamido-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0022
N-(3-chloro-2-methylphenyl)-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

J046-0022

Molecular Formula

C21H19ClN4O3 (C21 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC1=CC(c2ccccc2)=NN(CC(Nc2cccc(Cl)c2C)=O)C1=O)=O

InChI

InChI=1S/C21H19ClN4O3/c1-13-16(22)9-6-10-17(13)24-20(28)12-26-21(29)19(23-14(2)27)11-18(25-26)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,23,27)(H,24,28)

InChI Key

YAHIXFQOIDGILG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

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

3.138

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.43

Polar Surface Area

74.947

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J046-0022 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 J046-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0022?
Check Price and Availability of J046-0022, 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 J046-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0022
  • 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 J046-0022 available by request