J046-1159 Screening compound: N-(2-{1-[(4-acetylphenyl)carbamoyl]ethyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)-2-methylpropanamide

J046-1159 Screening compound: N-(2-{1-[(4-acetylphenyl)carbamoyl]ethyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)-2-methylpropanamide
J046-1159 Screening compound: N-(2-{1-[(4-acetylphenyl)carbamoyl]ethyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-1159
N-(2-{1-[(4-acetylphenyl)carbamoyl]ethyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)-2-methylpropanamide

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

J046-1159

Molecular Formula

C26H28N4O4 (C26 H28 N4 O4)

Compound Name

N-(2-{1-[(4-acetylphenyl)carbamoyl]ethyl}-6-(4-methylphenyl)-3-oxo-2,3-dihydropyridazin-4-yl)-2-methylpropanamide

IUPAC name

N-(2-{1-[(4-acetylphenyl)carbamoyl]ethyl}-6-(4-methylphenyl)-3-oxo-23-dihydropyridazin-4-yl)-2-methylpropanamide

SMILES

CC(C)C(NC1=CC(c2ccc(C)cc2)=NN(C(C)C(Nc(cc2)ccc2C(C)=O)=O)C1=O)=O

InChI

InChI=1S/C26H28N4O4/c1-15(2)24(32)28-23-14-22(20-8-6-16(3)7-9-20)29-30(26(23)34)17(4)25(33)27-21-12-10-19(11-13-21)18(5)31/h6-15,17H,1-5H3,(H,27,33)(H,28,32)/t17-/m0/s1

InChI Key

NIGDHUMRACVSNY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27222518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-3.98

Polar Surface Area

88.319

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

J046-1159 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J046-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-1159?
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What is the minimum amount of J046-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-1159
  • 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 J046-1159 available by request