S396-0237 Screening compound: 2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

S396-0237 Screening compound: 2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
S396-0237 Screening compound: 2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0237
2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

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

S396-0237

Molecular Formula

C19H29N5O3 (C19 H29 N5 O3)

Compound Name

2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

IUPAC name

2-[1-(1-methyl-6-oxo-16-dihydropyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

SMILES

CN1N=CC(N2CC(CC(NCCCN(CCC3)C3=O)=O)CCC2)=CC1=O

InChI

InChI=1S/C19H29N5O3/c1-22-19(27)12-16(13-21-22)24-9-2-5-15(14-24)11-17(25)20-7-4-10-23-8-3-6-18(23)26/h12-13,15H,2-11,14H2,1H3,(H,20,25)/t15-/m1/s1

InChI Key

IRQVAANUHGNAJV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29018408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.817

Distribution Coefficient, logD

-1.074

Water Solubility, LogSw

-0.62

Polar Surface Area

73.931

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

S396-0237 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S396-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0237?
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What is the minimum amount of S396-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0237
  • 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 S396-0237 available by request