S671-0383 Screening compound: 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one

S671-0383 Screening compound: 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one
S671-0383 Screening compound: 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S671-0383
7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecan-8-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

S671-0383

Molecular Formula

C11H20N2O2 (C11 H20 N2 O2)

Compound Name

7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one

IUPAC name

7-ethyl-3-oxa-711-diazaspiro[5.6]dodecan-8-one

SMILES

CCN(C1(CCOCC1)CNCC1)C1=O

InChI

InChI=1S/C11H20N2O2/c1-2-13-10(14)3-6-12-9-11(13)4-7-15-8-5-11/h12H,2-9H2,1H3

InChI Key

AGGKGSFIJBZQGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897784

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

212.29

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

-0.011

Distribution Coefficient, logD

-2.455

Water Solubility, LogSw

-0.20

Polar Surface Area

36.483

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

90.91

S671-0383 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S671-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S671-0383?
Check Price and Availability of S671-0383, 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 S671-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S671-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S671-0383
  • 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 S671-0383 available by request