S423-0400 Screening compound: 4-(benzyloxy)-9-(3-methoxybenzoyl)-1-oxa-9-azaspiro[5.5]undecane

S423-0400 Screening compound: 4-(benzyloxy)-9-(3-methoxybenzoyl)-1-oxa-9-azaspiro[5.5]undecane
S423-0400 Screening compound: 4-(benzyloxy)-9-(3-methoxybenzoyl)-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0400
4-(benzyloxy)-9-(3-methoxybenzoyl)-1-oxa-9-azaspiro[5.5]undecane

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

S423-0400

Molecular Formula

C24H29NO4 (C24 H29 NO4)

Compound Name

4-(benzyloxy)-9-(3-methoxybenzoyl)-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

4-(benzyloxy)-9-(3-methoxybenzoyl)-1-oxa-9-azaspiro[5.5]undecane

SMILES

COc1cccc(C(N(CC2)CCC2(C2)OCCC2OCc2ccccc2)=O)c1

InChI

InChI=1S/C24H29NO4/c1-27-21-9-5-8-20(16-21)23(26)25-13-11-24(12-14-25)17-22(10-15-29-24)28-18-19-6-3-2-4-7-19/h2-9,16,22H,10-15,17-18H2,1H3/t22-/m1/s1

InChI Key

RNMAVZIHTRSKDG-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD29018054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

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

3.079

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.27

Polar Surface Area

37.774

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

S423-0400 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S423-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0400?
Check Price and Availability of S423-0400, 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 S423-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0400
  • 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 S423-0400 available by request