S223-0005 Screening compound: 1-{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-2-(2-methoxyphenyl)-1-ethanone

S223-0005 Screening compound: 1-{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-2-(2-methoxyphenyl)-1-ethanone
S223-0005 Screening compound: 1-{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-2-(2-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S223-0005
1-{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-2-(2-methoxyphenyl)-1-ethanone

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

S223-0005

Molecular Formula

C20H30N2O3 (C20 H30 N2 O3)

Compound Name

1-{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-2-(2-methoxyphenyl)-1-ethanone

IUPAC name

1-{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl}-2-(2-methoxyphenyl)ethan-1-one

SMILES

CN(C)CC(CN(C1)C(Cc(cccc2)c2OC)=O)C11CCOCC1

InChI

InChI=1S/C20H30N2O3/c1-21(2)13-17-14-22(15-20(17)8-10-25-11-9-20)19(23)12-16-6-4-5-7-18(16)24-3/h4-7,17H,8-15H2,1-3H3/t17-/m1/s1

InChI Key

DJLRPRWTALJDGX-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29031874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

-0.376

Water Solubility, LogSw

-2.16

Polar Surface Area

35.939

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S223-0005 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S223-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S223-0005?
Check Price and Availability of S223-0005, 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 S223-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S223-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S223-0005
  • 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 S223-0005 available by request