S423-1014 Screening compound: 9-[(pyridin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

S423-1014 Screening compound: 9-[(pyridin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
S423-1014 Screening compound: 9-[(pyridin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-1014
9-[(pyridin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

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

S423-1014

Molecular Formula

C15H22N2O2 (C15 H22 N2 O2)

Compound Name

9-[(pyridin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

IUPAC name

9-[(pyridin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

SMILES

OC1CC2(CCN(Cc3ccncc3)CC2)OCC1

InChI

InChI=1S/C15H22N2O2/c18-14-3-10-19-15(11-14)4-8-17(9-5-15)12-13-1-6-16-7-2-13/h1-2,6-7,14,18H,3-5,8-12H2/t14-/m1/s1

InChI Key

GNJKZURGJZLLJF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD30460239

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

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.629

Distribution Coefficient, logD

0.338

Water Solubility, LogSw

-1.09

Polar Surface Area

35.723

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S423-1014 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S423-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-1014?
Check Price and Availability of S423-1014, 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 S423-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-1014
  • 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 S423-1014 available by request