8008-0770 Screening compound: 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

8008-0770 Screening compound: 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
8008-0770 Screening compound: 3-benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0770
3-benzyl-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

8008-0770

Molecular Formula

C16H21NO3 (C16 H21 NO3)

Compound Name

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

IUPAC name

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

SMILES

CC(C1(CCCCC1)O1)(N(Cc2ccccc2)C1=O)O

InChI

InChI=1S/C16H21NO3/c1-15(19)16(10-6-3-7-11-16)20-14(18)17(15)12-13-8-4-2-5-9-13/h2,4-5,8-9,19H,3,6-7,10-12H2,1H3/t15-/m0/s1

InChI Key

IUGBOSBIXHIIKB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01240777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.22

Polar Surface Area

39.129

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

8008-0770 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8008-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0770?
Check Price and Availability of 8008-0770, 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 8008-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0770
  • 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 8008-0770 available by request