S396-0137 Screening compound: 5-{3-[2-OXO-2-(4-PHENYL-1,2,3,6-TETRAHYDROPYRIDIN-1-YL)ETHYL]PIPERIDIN-1-YL}-2,3-DIHYDROPYRIDAZIN-3-ONE

S396-0137 Screening compound: 5-{3-[2-OXO-2-(4-PHENYL-1,2,3,6-TETRAHYDROPYRIDIN-1-YL)ETHYL]PIPERIDIN-1-YL}-2,3-DIHYDROPYRIDAZIN-3-ONE
S396-0137 Screening compound: 5-{3-[2-OXO-2-(4-PHENYL-1,2,3,6-TETRAHYDROPYRIDIN-1-YL)ETHYL]PIPERIDIN-1-YL}-2,3-DIHYDROPYRIDAZIN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0137
5-{3-[2-OXO-2-(4-PHENYL-1,2,3,6-TETRAHYDROPYRIDIN-1-YL)ETHYL]PIPERIDIN-1-YL}-2,3-DIHYDROPYRIDAZIN-3-ONE

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

S396-0137

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

5-{3-[2-OXO-2-(4-PHENYL-1,2,3,6-TETRAHYDROPYRIDIN-1-YL)ETHYL]PIPERIDIN-1-YL}-2,3-DIHYDROPYRIDAZIN-3-ONE

IUPAC name

5-{3-[2-oxo-2-(4-phenyl-1236-tetrahydropyridin-1-yl)ethyl]piperidin-1-yl}-23-dihydropyridazin-3-one

SMILES

O=C(CC(CCC1)CN1C(C=NN1)=CC1=O)N(CC1)CC=C1c1ccccc1

InChI

InChI=1S/C22H26N4O2/c27-21-14-20(15-23-24-21)26-10-4-5-17(16-26)13-22(28)25-11-8-19(9-12-25)18-6-2-1-3-7-18/h1-3,6-8,14-15,17H,4-5,9-13,16H2,(H,24,27)/t17-/m1/s1

InChI Key

PSEXTCKVNRSBQO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29003570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.41

Polar Surface Area

57.951

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

S396-0137 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Peptidomimetic Library (37031 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S396-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0137?
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What is the minimum amount of S396-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0137
  • 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 S396-0137 available by request