S396-0457 Screening compound: 2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-propylacetamide

S396-0457 Screening compound: 2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-propylacetamide
S396-0457 Screening compound: 2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0457
2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-propylacetamide

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

S396-0457

Molecular Formula

C16H26N4O2 (C16 H26 N4 O2)

Compound Name

2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-propylacetamide

IUPAC name

2-[1-(1-ethyl-6-oxo-16-dihydropyridazin-4-yl)piperidin-3-yl]-N-propylacetamide

SMILES

CCCNC(CC(CCC1)CN1C(C=NN1CC)=CC1=O)=O

InChI

InChI=1S/C16H26N4O2/c1-3-7-17-15(21)9-13-6-5-8-19(12-13)14-10-16(22)20(4-2)18-11-14/h10-11,13H,3-9,12H2,1-2H3,(H,17,21)/t13-/m1/s1

InChI Key

VDXCIBJOUVKWHW-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29003541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.964

Distribution Coefficient, logD

0.887

Water Solubility, LogSw

-1.34

Polar Surface Area

56.736

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.80

S396-0457 in Drug Discovery

Included in Screening Libraries

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
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S396-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0457?
Check Price and Availability of S396-0457, 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 S396-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0457
  • 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 S396-0457 available by request