S672-0383 Screening compound: 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

S672-0383 Screening compound: 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
S672-0383 Screening compound: 7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane alternative view

Chemical Structure Depiction of ChemDiv screening compound S672-0383
7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

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

S672-0383

Molecular Formula

C11H22N2O (C11 H22 N2 O)

Compound Name

7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

IUPAC name

7-ethyl-3-oxa-711-diazaspiro[5.6]dodecane

SMILES

CCN1C2(CCOCC2)CNCCC1

InChI

InChI=1S/C11H22N2O/c1-2-13-7-3-6-12-10-11(13)4-8-14-9-5-11/h12H,2-10H2,1H3

InChI Key

KYSJGDXODWYQHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897785

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

198.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.564

Distribution Coefficient, logD

-0.977

Water Solubility, LogSw

-0.54

Polar Surface Area

23.665

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

S672-0383 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 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)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S672-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S672-0383?
Check Price and Availability of S672-0383, 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 S672-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S672-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S672-0383
  • 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 S672-0383 available by request