J046-1069 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)carbamoyl]ethyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)-2-methylpropanamide

J046-1069 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)carbamoyl]ethyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)-2-methylpropanamide
J046-1069 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)carbamoyl]ethyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-1069
N-(2-{1-[(2,5-dimethylphenyl)carbamoyl]ethyl}-3-oxo-6-phenyl-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

J046-1069

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

N-(2-{1-[(2,5-dimethylphenyl)carbamoyl]ethyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)-2-methylpropanamide

IUPAC name

N-(2-{1-[(25-dimethylphenyl)carbamoyl]ethyl}-3-oxo-6-phenyl-23-dihydropyridazin-4-yl)-2-methylpropanamide

SMILES

CC(C)C(NC1=CC(c2ccccc2)=NN(C(C)C(Nc2c(C)ccc(C)c2)=O)C1=O)=O

InChI

InChI=1S/C25H28N4O3/c1-15(2)23(30)27-22-14-21(19-9-7-6-8-10-19)28-29(25(22)32)18(5)24(31)26-20-13-16(3)11-12-17(20)4/h6-15,18H,1-5H3,(H,26,31)(H,27,30)/t18-/m0/s1

InChI Key

XRMQEUGUFSPURA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27222470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

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

4.037

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-3.99

Polar Surface Area

73.794

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

J046-1069 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J046-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-1069?
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What is the minimum amount of J046-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-1069
  • 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 J046-1069 available by request