S396-0947 Screening compound: 2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide

S396-0947 Screening compound: 2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide
S396-0947 Screening compound: 2-{1-[1-(cyclopropylmethyl)-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 S396-0947
2-{1-[1-(cyclopropylmethyl)-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

S396-0947

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(CCC1)CN1C(C=NN1CC2CC2)=CC1=O)NCCc1ncccc1

InChI

InChI=1S/C22H29N5O2/c28-21(24-10-8-19-5-1-2-9-23-19)12-18-4-3-11-26(15-18)20-13-22(29)27(25-14-20)16-17-6-7-17/h1-2,5,9,13-14,17-18H,3-4,6-8,10-12,15-16H2,(H,24,28)/t18-/m1/s1

InChI Key

LYTPZZSTUDZNKS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29003723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.295

Distribution Coefficient, logD

1.218

Water Solubility, LogSw

-2.04

Polar Surface Area

66.534

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

S396-0947 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 S396-0947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0947?
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What is the minimum amount of S396-0947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0947
  • 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 S396-0947 available by request