S223-0001 Screening compound: {4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(3-methoxyphenyl)methanone

S223-0001 Screening compound: {4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(3-methoxyphenyl)methanone
S223-0001 Screening compound: {4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(3-methoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S223-0001
{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(3-methoxyphenyl)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

S223-0001

Molecular Formula

C19H28N2O3 (C19 H28 N2 O3)

Compound Name

{4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]dec-2-yl}(3-methoxyphenyl)methanone

IUPAC name

n/a

SMILES

CN(C)CC(CN(C1)C(c2cc(OC)ccc2)=O)C11CCOCC1

InChI

InChI=1S/C19H28N2O3/c1-20(2)12-16-13-21(14-19(16)7-9-24-10-8-19)18(22)15-5-4-6-17(11-15)23-3/h4-6,11,16H,7-10,12-14H2,1-3H3/t16-/m1/s1

InChI Key

NWRVNJGONJIMBZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29031872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.448

Distribution Coefficient, logD

-0.767

Water Solubility, LogSw

-1.99

Polar Surface Area

36.380

Acid Dissociation Constant (pKa)

27.68

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S223-0001 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cancer
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S223-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S223-0001?
Check Price and Availability of S223-0001, 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 S223-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S223-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S223-0001
  • 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 S223-0001 available by request