S396-0516 Screening compound: 5-{3-[2-(4-benzylpiperazino)-2-oxoethyl]piperidino}-2-ethyl-3(2H)-pyridazinone

S396-0516 Screening compound: 5-{3-[2-(4-benzylpiperazino)-2-oxoethyl]piperidino}-2-ethyl-3(2H)-pyridazinone
S396-0516 Screening compound: 5-{3-[2-(4-benzylpiperazino)-2-oxoethyl]piperidino}-2-ethyl-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0516
5-{3-[2-(4-benzylpiperazino)-2-oxoethyl]piperidino}-2-ethyl-3(2H)-pyridazinone

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

S396-0516

Molecular Formula

C24H33N5O2 (C24 H33 N5 O2)

Compound Name

5-{3-[2-(4-benzylpiperazino)-2-oxoethyl]piperidino}-2-ethyl-3(2H)-pyridazinone

IUPAC name

5-{3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl}-2-ethyl-23-dihydropyridazin-3-one

SMILES

CCN1N=CC(N2CC(CC(N3CCN(Cc4ccccc4)CC3)=O)CCC2)=CC1=O

InChI

InChI=1S/C24H33N5O2/c1-2-29-24(31)16-22(17-25-29)28-10-6-9-21(19-28)15-23(30)27-13-11-26(12-14-27)18-20-7-4-3-5-8-20/h3-5,7-8,16-17,21H,2,6,9-15,18-19H2,1H3/t21-/m1/s1

InChI Key

OQLMJUNWBSAFKF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29003688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.858

Distribution Coefficient, logD

1.765

Water Solubility, LogSw

-2.22

Polar Surface Area

52.084

Acid Dissociation Constant (pKa)

24.83

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

S396-0516 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S396-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0516?
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What is the minimum amount of S396-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0516
  • 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 S396-0516 available by request