J046-1075 Screening compound: N-{2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl}-2-methylpropanamide

J046-1075 Screening compound: N-{2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl}-2-methylpropanamide
J046-1075 Screening compound: N-{2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-1075
N-{2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-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

J046-1075

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

N-{2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl}-2-methylpropanamide

IUPAC name

N-{2-[1-(23-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-3-oxo-6-phenyl-23-dihydropyridazin-4-yl}-2-methylpropanamide

SMILES

CC(C)C(NC1=CC(c2ccccc2)=NN(C(C)C(N(CC2)c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C25H26N4O3/c1-16(2)23(30)26-21-15-20(18-9-5-4-6-10-18)27-29(25(21)32)17(3)24(31)28-14-13-19-11-7-8-12-22(19)28/h4-12,15-17H,13-14H2,1-3H3,(H,26,30)/t17-/m0/s1

InChI Key

HLOUNXXRZKIBKR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27222472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-3.98

Polar Surface Area

67.080

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

J046-1075 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J046-1075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-1075?
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What is the minimum amount of J046-1075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-1075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-1075
  • 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 J046-1075 available by request