S649-0580 Screening compound: 4-({4-[3-(2-methoxyethoxy)-1-azaspiro[3.5]nonan-1-yl]piperidin-1-yl}methyl)benzonitrile

S649-0580 Screening compound: 4-({4-[3-(2-methoxyethoxy)-1-azaspiro[3.5]nonan-1-yl]piperidin-1-yl}methyl)benzonitrile
S649-0580 Screening compound: 4-({4-[3-(2-methoxyethoxy)-1-azaspiro[3.5]nonan-1-yl]piperidin-1-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S649-0580
4-({4-[3-(2-methoxyethoxy)-1-azaspiro[3.5]nonan-1-yl]piperidin-1-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

S649-0580

Molecular Formula

C24H35N3O2 (C24 H35 N3 O2)

Compound Name

4-({4-[3-(2-methoxyethoxy)-1-azaspiro[3.5]nonan-1-yl]piperidin-1-yl}methyl)benzonitrile

IUPAC name

4-({4-[3-(2-methoxyethoxy)-1-azaspiro[3.5]nonan-1-yl]piperidin-1-yl}methyl)benzonitrile

SMILES

COCCOC(C1)C2(CCCCC2)N1C1CCN(Cc(cc2)ccc2C#N)CC1

InChI

InChI=1S/C24H35N3O2/c1-28-15-16-29-23-19-27(24(23)11-3-2-4-12-24)22-9-13-26(14-10-22)18-21-7-5-20(17-25)6-8-21/h5-8,22-23H,2-4,9-16,18-19H2,1H3/t23-/m0/s1

InChI Key

CIRQFXLXSYDOEZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD31979850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.97

Polar Surface Area

38.827

Acid Dissociation Constant (pKa)

27.51

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.83

S649-0580 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S649-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S649-0580?
Check Price and Availability of S649-0580, 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 S649-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S649-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S649-0580
  • 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 S649-0580 available by request