S671-0469 Screening compound: 7-ethyl-11-[(3-methylphenyl)methyl]-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one

S671-0469 Screening compound: 7-ethyl-11-[(3-methylphenyl)methyl]-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one
S671-0469 Screening compound: 7-ethyl-11-[(3-methylphenyl)methyl]-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S671-0469
7-ethyl-11-[(3-methylphenyl)methyl]-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

S671-0469

Molecular Formula

C19H28N2O2 (C19 H28 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(C1(CCOCC1)CN(Cc1cc(C)ccc1)CC1)C1=O

InChI

InChI=1S/C19H28N2O2/c1-3-21-18(22)7-10-20(14-17-6-4-5-16(2)13-17)15-19(21)8-11-23-12-9-19/h4-6,13H,3,7-12,14-15H2,1-2H3

InChI Key

DKNFZSOXTMNQEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31996937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.44

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

2.817

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-2.83

Polar Surface Area

28.065

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

S671-0469 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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
  • 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 S671-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S671-0469?
Check Price and Availability of S671-0469, 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 S671-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S671-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S671-0469
  • 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 S671-0469 available by request