S423-0918 Screening compound: 1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-phenylpropan-1-one

S423-0918 Screening compound: 1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-phenylpropan-1-one
S423-0918 Screening compound: 1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0918
1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-phenylpropan-1-one

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

S423-0918

Molecular Formula

C18H25NO3 (C18 H25 NO3)

Compound Name

1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-phenylpropan-1-one

IUPAC name

1-{4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}-3-phenylpropan-1-one

SMILES

OC1CC(CC2)(CCN2C(CCc2ccccc2)=O)OCC1

InChI

InChI=1S/C18H25NO3/c20-16-8-13-22-18(14-16)9-11-19(12-10-18)17(21)7-6-15-4-2-1-3-5-15/h1-5,16,20H,6-14H2/t16-/m1/s1

InChI Key

RZXDHEJDDXIWTP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30460225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-1.76

Polar Surface Area

38.683

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S423-0918 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

Immunological Library (6760 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

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S423-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0918?
Check Price and Availability of S423-0918, 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 S423-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0918
  • 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 S423-0918 available by request