S631-0147 Screening compound: 3-phenyl-2-(piperidin-4-yl)-2-azaspiro[3.5]nonan-1-one

S631-0147 Screening compound: 3-phenyl-2-(piperidin-4-yl)-2-azaspiro[3.5]nonan-1-one
S631-0147 Screening compound: 3-phenyl-2-(piperidin-4-yl)-2-azaspiro[3.5]nonan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S631-0147
3-phenyl-2-(piperidin-4-yl)-2-azaspiro[3.5]nonan-1-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

S631-0147

Molecular Formula

C19H26N2O (C19 H26 N2 O)

Compound Name

3-phenyl-2-(piperidin-4-yl)-2-azaspiro[3.5]nonan-1-one

IUPAC name

3-phenyl-2-(piperidin-4-yl)-2-azaspiro[3.5]nonan-1-one

SMILES

O=C(C1(CCCCC1)C1c2ccccc2)N1C1CCNCC1

InChI

InChI=1S/C19H26N2O/c22-18-19(11-5-2-6-12-19)17(15-7-3-1-4-8-15)21(18)16-9-13-20-14-10-16/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2/t17-/m0/s1

InChI Key

PUSPJJSIFTTWBH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28897765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.043

Distribution Coefficient, logD

-1.061

Water Solubility, LogSw

-2.50

Polar Surface Area

27.357

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

S631-0147 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S631-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S631-0147?
Check Price and Availability of S631-0147, 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 S631-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S631-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S631-0147
  • 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 S631-0147 available by request