S671-0483 Screening compound: 11-(cyclohexylmethyl)-7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one

S671-0483 Screening compound: 11-(cyclohexylmethyl)-7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one
S671-0483 Screening compound: 11-(cyclohexylmethyl)-7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S671-0483
11-(cyclohexylmethyl)-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

S671-0483

Molecular Formula

C18H32N2O2 (C18 H32 N2 O2)

Compound Name

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

IUPAC name

11-(cyclohexylmethyl)-7-ethyl-3-oxa-711-diazaspiro[5.6]dodecan-8-one

SMILES

CCN(C1(CCOCC1)CN(CC1CCCCC1)CC1)C1=O

InChI

InChI=1S/C18H32N2O2/c1-2-20-17(21)8-11-19(14-16-6-4-3-5-7-16)15-18(20)9-12-22-13-10-18/h16H,2-15H2,1H3

InChI Key

IJOIAJNPCUVNQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30463552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

1.706

Water Solubility, LogSw

-2.76

Polar Surface Area

28.257

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.44

S671-0483 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S671-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S671-0483?
Check Price and Availability of S671-0483, 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 S671-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S671-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S671-0483
  • 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 S671-0483 available by request