S423-0874 Screening compound: 9-(quinoline-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

S423-0874 Screening compound: 9-(quinoline-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
S423-0874 Screening compound: 9-(quinoline-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0874
9-(quinoline-2-carbonyl)-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

S423-0874

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

9-(quinoline-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

IUPAC name

9-(quinoline-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

SMILES

OC1CC(CC2)(CCN2C(c2nc3ccccc3cc2)=O)OCC1

InChI

InChI=1S/C19H22N2O3/c22-15-7-12-24-19(13-15)8-10-21(11-9-19)18(23)17-6-5-14-3-1-2-4-16(14)20-17/h1-6,15,22H,7-13H2/t15-/m1/s1

InChI Key

XKKAHLYXQAGBNC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32224586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.916

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-2.56

Polar Surface Area

47.541

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S423-0874 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S423-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0874?
Check Price and Availability of S423-0874, 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 S423-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0874
  • 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 S423-0874 available by request