8009-2496 Screening compound: 3-ethyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

8009-2496 Screening compound: 3-ethyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
8009-2496 Screening compound: 3-ethyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2496
3-ethyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-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

8009-2496

Molecular Formula

C11H19NO3 (C11 H19 NO3)

Compound Name

3-ethyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

IUPAC name

3-ethyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

SMILES

CCN(C(C)(C1(CCCCC1)O1)O)C1=O

InChI

InChI=1S/C11H19NO3/c1-3-12-9(13)15-11(10(12,2)14)7-5-4-6-8-11/h14H,3-8H2,1-2H3/t10-/m0/s1

InChI Key

WNRCYVVANLPQEF-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01572606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

213.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.929

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-1.76

Polar Surface Area

39.125

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.91

8009-2496 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-2496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2496?
Check Price and Availability of 8009-2496, 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 8009-2496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2496
  • 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 8009-2496 available by request