S423-0050 Screening compound: 4-methoxy-N-(4-methoxyphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

S423-0050 Screening compound: 4-methoxy-N-(4-methoxyphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
S423-0050 Screening compound: 4-methoxy-N-(4-methoxyphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0050
4-methoxy-N-(4-methoxyphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

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

S423-0050

Molecular Formula

C18H26N2O4 (C18 H26 N2 O4)

Compound Name

4-methoxy-N-(4-methoxyphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

IUPAC name

4-methoxy-N-(4-methoxyphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SMILES

COC1CC(CC2)(CCN2C(Nc(cc2)ccc2OC)=O)OCC1

InChI

InChI=1S/C18H26N2O4/c1-22-15-5-3-14(4-6-15)19-17(21)20-10-8-18(9-11-20)13-16(23-2)7-12-24-18/h3-6,16H,7-13H2,1-2H3,(H,19,21)/t16-/m1/s1

InChI Key

WELVYZPYRVWDFC-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29006065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.45

Polar Surface Area

46.911

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

S423-0050 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S423-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0050?
Check Price and Availability of S423-0050, 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 S423-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0050
  • 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 S423-0050 available by request