S423-0455 Screening compound: 4-(benzyloxy)-1-oxa-9-azaspiro[5.5]undecane

S423-0455 Screening compound: 4-(benzyloxy)-1-oxa-9-azaspiro[5.5]undecane
S423-0455 Screening compound: 4-(benzyloxy)-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0455
4-(benzyloxy)-1-oxa-9-azaspiro[5.5]undecane

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

S423-0455

Molecular Formula

C16H23NO2 (C16 H23 NO2)

Compound Name

4-(benzyloxy)-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

4-(benzyloxy)-1-oxa-9-azaspiro[5.5]undecane

SMILES

C(c1ccccc1)OC1CC2(CCNCC2)OCC1

InChI

InChI=1S/C16H23NO2/c1-2-4-14(5-3-1)13-18-15-6-11-19-16(12-15)7-9-17-10-8-16/h1-5,15,17H,6-13H2/t15-/m1/s1

InChI Key

PTTUPMVBPBPMRO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28897612

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

261.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.353

Distribution Coefficient, logD

-1.543

Water Solubility, LogSw

-1.21

Polar Surface Area

25.735

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

10.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S423-0455 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Ion Channels Focused Library (26372 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S423-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0455?
Check Price and Availability of S423-0455, 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 S423-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0455
  • 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 S423-0455 available by request