S396-0708 Screening compound: N-benzyl-2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-methylacetamide

S396-0708 Screening compound: N-benzyl-2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-methylacetamide
S396-0708 Screening compound: N-benzyl-2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0708
N-benzyl-2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-methylacetamide

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

S396-0708

Molecular Formula

C22H30N4O3 (C22 H30 N4 O3)

Compound Name

N-benzyl-2-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-methylacetamide

IUPAC name

N-benzyl-2-{1-[1-(2-methoxyethyl)-6-oxo-16-dihydropyridazin-4-yl]piperidin-3-yl}-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CC(CCC1)CN1C(C=NN1CCOC)=CC1=O)=O

InChI

InChI=1S/C22H30N4O3/c1-24(16-18-7-4-3-5-8-18)21(27)13-19-9-6-10-25(17-19)20-14-22(28)26(23-15-20)11-12-29-2/h3-5,7-8,14-15,19H,6,9-13,16-17H2,1-2H3/t19-/m1/s1

InChI Key

CLHBCPVWECCUMM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29004198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.153

Distribution Coefficient, logD

2.060

Water Solubility, LogSw

-2.53

Polar Surface Area

56.642

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S396-0708 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 S396-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0708?
Check Price and Availability of S396-0708, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S396-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0708
  • 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 S396-0708 available by request