S247-0002 Screening compound: 4-{[(pyridin-4-yl)methoxy]methyl}-8-oxa-2-azaspiro[4.5]decane

S247-0002 Screening compound: 4-{[(pyridin-4-yl)methoxy]methyl}-8-oxa-2-azaspiro[4.5]decane
S247-0002 Screening compound: 4-{[(pyridin-4-yl)methoxy]methyl}-8-oxa-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound S247-0002
4-{[(pyridin-4-yl)methoxy]methyl}-8-oxa-2-azaspiro[4.5]decane

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

S247-0002

Molecular Formula

C15H22N2O2 (C15 H22 N2 O2)

Compound Name

4-{[(pyridin-4-yl)methoxy]methyl}-8-oxa-2-azaspiro[4.5]decane

IUPAC name

4-{[(pyridin-4-yl)methoxy]methyl}-8-oxa-2-azaspiro[4.5]decane

SMILES

C(C(CNC1)C11CCOCC1)OCc1ccncc1

InChI

InChI=1S/C15H22N2O2/c1-5-16-6-2-13(1)10-19-11-14-9-17-12-15(14)3-7-18-8-4-15/h1-2,5-6,14,17H,3-4,7-12H2/t14-/m1/s1

InChI Key

RJFAIEXJSRJYFR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD30459081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.690

Distribution Coefficient, logD

-4.028

Water Solubility, LogSw

-0.98

Polar Surface Area

38.039

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

12.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S247-0002 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S247-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S247-0002?
Check Price and Availability of S247-0002, 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 S247-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S247-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S247-0002
  • 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 S247-0002 available by request