S664-4320 Screening compound: 2-{[1-(2-methoxyethoxy)-7-azaspiro[3.5]non-7-yl]methyl}benzonitrile

S664-4320 Screening compound: 2-{[1-(2-methoxyethoxy)-7-azaspiro[3.5]non-7-yl]methyl}benzonitrile
S664-4320 Screening compound: 2-{[1-(2-methoxyethoxy)-7-azaspiro[3.5]non-7-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-4320
2-{[1-(2-methoxyethoxy)-7-azaspiro[3.5]non-7-yl]methyl}benzonitrile

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

S664-4320

Molecular Formula

C19H26N2O2 (C19 H26 N2 O2)

Compound Name

2-{[1-(2-methoxyethoxy)-7-azaspiro[3.5]non-7-yl]methyl}benzonitrile

IUPAC name

2-{[1-(2-methoxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl}benzonitrile

SMILES

COCCOC(CC1)C11CCN(Cc(cccc2)c2C#N)CC1

InChI

InChI=1S/C19H26N2O2/c1-22-12-13-23-18-6-7-19(18)8-10-21(11-9-19)15-17-5-3-2-4-16(17)14-20/h2-5,18H,6-13,15H2,1H3/t18-/m0/s1

InChI Key

ZAHCSYRETPKPPO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30468174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-2.50

Polar Surface Area

36.496

Acid Dissociation Constant (pKa)

28.72

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S664-4320 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S664-4320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-4320?
Check Price and Availability of S664-4320, 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 S664-4320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-4320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-4320
  • 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 S664-4320 available by request