S396-0764 Screening compound: 2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide

S396-0764 Screening compound: 2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide
S396-0764 Screening compound: 2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0764
2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]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

S396-0764

Molecular Formula

C21H29N5O3 (C21 H29 N5 O3)

Compound Name

2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide

IUPAC name

2-{1-[1-(2-methoxyethyl)-6-oxo-16-dihydropyridazin-4-yl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide

SMILES

COCCN1N=CC(N2CC(CC(NCCc3ncccc3)=O)CCC2)=CC1=O

InChI

InChI=1S/C21H29N5O3/c1-29-12-11-26-21(28)14-19(15-24-26)25-10-4-5-17(16-25)13-20(27)23-9-7-18-6-2-3-8-22-18/h2-3,6,8,14-15,17H,4-5,7,9-13,16H2,1H3,(H,23,27)/t17-/m1/s1

InChI Key

QMPPSPCOIASLCG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29003621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.304

Distribution Coefficient, logD

0.227

Water Solubility, LogSw

-1.83

Polar Surface Area

74.604

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

S396-0764 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S396-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0764?
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What is the minimum amount of S396-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0764
  • 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 S396-0764 available by request