S423-0381 Screening compound: 4-(benzyloxy)-N-(2-fluorophenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

S423-0381 Screening compound: 4-(benzyloxy)-N-(2-fluorophenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
S423-0381 Screening compound: 4-(benzyloxy)-N-(2-fluorophenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0381
4-(benzyloxy)-N-(2-fluorophenyl)-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

S423-0381

Molecular Formula

C23H27FN2O3 (C23 H27 FN2 O3)

Compound Name

4-(benzyloxy)-N-(2-fluorophenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

IUPAC name

4-(benzyloxy)-N-(2-fluorophenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SMILES

O=C(Nc(cccc1)c1F)N(CC1)CCC1(C1)OCCC1OCc1ccccc1

InChI

InChI=1S/C23H27FN2O3/c24-20-8-4-5-9-21(20)25-22(27)26-13-11-23(12-14-26)16-19(10-15-29-23)28-17-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,25,27)/t19-/m1/s1

InChI Key

OPELRXDNGFVPKX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29006116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-3.78

Polar Surface Area

38.353

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

S423-0381 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S423-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0381?
Check Price and Availability of S423-0381, 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 S423-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0381
  • 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 S423-0381 available by request