J046-0359 Screening compound: N-(4-acetylphenyl)-2-[3-(4-chlorophenyl)-5-acetamido-6-oxo-1,6-dihydropyridazin-1-yl]propanamide

J046-0359 Screening compound: N-(4-acetylphenyl)-2-[3-(4-chlorophenyl)-5-acetamido-6-oxo-1,6-dihydropyridazin-1-yl]propanamide
J046-0359 Screening compound: N-(4-acetylphenyl)-2-[3-(4-chlorophenyl)-5-acetamido-6-oxo-1,6-dihydropyridazin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0359
N-(4-acetylphenyl)-2-[3-(4-chlorophenyl)-5-acetamido-6-oxo-1,6-dihydropyridazin-1-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

J046-0359

Molecular Formula

C23H21ClN4O4 (C23 H21 ClN4 O4)

Compound Name

N-(4-acetylphenyl)-2-[3-(4-chlorophenyl)-5-acetamido-6-oxo-1,6-dihydropyridazin-1-yl]propanamide

IUPAC name

N-(4-acetylphenyl)-2-[3-(4-chlorophenyl)-5-acetamido-6-oxo-16-dihydropyridazin-1-yl]propanamide

SMILES

CC(C(Nc(cc1)ccc1C(C)=O)=O)N(C(C(NC(C)=O)=C1)=O)N=C1c(cc1)ccc1Cl

InChI

InChI=1S/C23H21ClN4O4/c1-13(22(31)26-19-10-6-16(7-11-19)14(2)29)28-23(32)21(25-15(3)30)12-20(27-28)17-4-8-18(24)9-5-17/h4-13H,1-3H3,(H,25,30)(H,26,31)/t13-/m0/s1

InChI Key

WNEWTUXYGCQPFY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27222298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.65

Polar Surface Area

88.218

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

J046-0359 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J046-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0359?
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What is the minimum amount of J046-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0359
  • 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 J046-0359 available by request