S223-0084 Screening compound: {4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(6-quinolyl)methanone

S223-0084 Screening compound: {4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(6-quinolyl)methanone
S223-0084 Screening compound: {4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(6-quinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S223-0084
{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(6-quinolyl)methanone

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

S223-0084

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(6-quinolyl)methanone

IUPAC name

dimethyl({[2-(quinoline-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methyl})amine

SMILES

CN(C)CC(CN(C1)C(c2cc3cccnc3cc2)=O)C11CCOCC1

InChI

InChI=1S/C21H27N3O2/c1-23(2)13-18-14-24(15-21(18)7-10-26-11-8-21)20(25)17-5-6-19-16(12-17)4-3-9-22-19/h3-6,9,12,18H,7-8,10-11,13-15H2,1-2H3

InChI Key

UNTBIUIODVVWPX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.441

Distribution Coefficient, logD

-0.775

Water Solubility, LogSw

-2.04

Polar Surface Area

37.599

Acid Dissociation Constant (pKa)

27.68

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

S223-0084 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Kinases Inhibitors Library (36801 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S223-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S223-0084?
Check Price and Availability of S223-0084, 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 S223-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S223-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S223-0084
  • 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 S223-0084 available by request