S664-0048 Screening compound: 1-{1-methoxy-7-azaspiro[3.5]nonan-7-yl}-2-(pyridin-3-yl)ethan-1-one

S664-0048 Screening compound: 1-{1-methoxy-7-azaspiro[3.5]nonan-7-yl}-2-(pyridin-3-yl)ethan-1-one
S664-0048 Screening compound: 1-{1-methoxy-7-azaspiro[3.5]nonan-7-yl}-2-(pyridin-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-0048
1-{1-methoxy-7-azaspiro[3.5]nonan-7-yl}-2-(pyridin-3-yl)ethan-1-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

S664-0048

Molecular Formula

C16H22N2O2 (C16 H22 N2 O2)

Compound Name

1-{1-methoxy-7-azaspiro[3.5]nonan-7-yl}-2-(pyridin-3-yl)ethan-1-one

IUPAC name

1-{1-methoxy-7-azaspiro[3.5]nonan-7-yl}-2-(pyridin-3-yl)ethan-1-one

SMILES

COC(CC1)C1(CC1)CCN1C(Cc1cnccc1)=O

InChI

InChI=1S/C16H22N2O2/c1-20-14-4-5-16(14)6-9-18(10-7-16)15(19)11-13-3-2-8-17-12-13/h2-3,8,12,14H,4-7,9-11H2,1H3/t14-/m0/s1

InChI Key

DKPXILLGVYLKCE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30463149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.629

Distribution Coefficient, logD

0.621

Water Solubility, LogSw

-0.46

Polar Surface Area

33.129

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S664-0048 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S664-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-0048?
Check Price and Availability of S664-0048, 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 S664-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-0048
  • 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 S664-0048 available by request