S423-0468 Screening compound: 4-(benzyloxy)-9-(furan-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane

S423-0468 Screening compound: 4-(benzyloxy)-9-(furan-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
S423-0468 Screening compound: 4-(benzyloxy)-9-(furan-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0468
4-(benzyloxy)-9-(furan-2-carbonyl)-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

S423-0468

Molecular Formula

C21H25NO4 (C21 H25 NO4)

Compound Name

4-(benzyloxy)-9-(furan-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

4-(benzyloxy)-9-(furan-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane

SMILES

O=C(c1ccco1)N(CC1)CCC1(C1)OCCC1OCc1ccccc1

InChI

InChI=1S/C21H25NO4/c23-20(19-7-4-13-24-19)22-11-9-21(10-12-22)15-18(8-14-26-21)25-16-17-5-2-1-3-6-17/h1-7,13,18H,8-12,14-16H2/t18-/m1/s1

InChI Key

OTOVBYNENOOJNB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29006153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.43

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

2.518

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-2.36

Polar Surface Area

38.808

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

S423-0468 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S423-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0468?
Check Price and Availability of S423-0468, 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 S423-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0468
  • 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 S423-0468 available by request