S396-0014 Screening compound: 5-[3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)piperidin-1-yl]-2,3-dihydropyridazin-3-one

S396-0014 Screening compound: 5-[3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)piperidin-1-yl]-2,3-dihydropyridazin-3-one
S396-0014 Screening compound: 5-[3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)piperidin-1-yl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0014
5-[3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)piperidin-1-yl]-2,3-dihydropyridazin-3-one

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

S396-0014

Molecular Formula

C18H26N4O4 (C18 H26 N4 O4)

Compound Name

5-[3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)piperidin-1-yl]-2,3-dihydropyridazin-3-one

IUPAC name

5-[3-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)piperidin-1-yl]-23-dihydropyridazin-3-one

SMILES

O=C(CC(CCC1)CN1C(C=NN1)=CC1=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C18H26N4O4/c23-16-11-15(12-19-20-16)22-5-1-2-14(13-22)10-17(24)21-6-3-18(4-7-21)25-8-9-26-18/h11-12,14H,1-10,13H2,(H,20,23)/t14-/m1/s1

InChI Key

OPKJFHARWMQNOW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29004876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.722

Distribution Coefficient, logD

0.658

Water Solubility, LogSw

-1.03

Polar Surface Area

72.660

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.20

S396-0014 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S396-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0014?
Check Price and Availability of S396-0014, 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 S396-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0014
  • 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 S396-0014 available by request