S631-0296 Screening compound: 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.4]octan-1-one

S631-0296 Screening compound: 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.4]octan-1-one
S631-0296 Screening compound: 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.4]octan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S631-0296
2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.4]octan-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

S631-0296

Molecular Formula

C23H32N2O2 (C23 H32 N2 O2)

Compound Name

2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.4]octan-1-one

IUPAC name

2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenyl-2-azaspiro[3.4]octan-1-one

SMILES

O=C(C1(CCCC1)C1c2ccccc2)N1C(CC1)CCN1C1CCOCC1

InChI

InChI=1S/C23H32N2O2/c26-22-23(12-4-5-13-23)21(18-6-2-1-3-7-18)25(22)20-8-14-24(15-9-20)19-10-16-27-17-11-19/h1-3,6-7,19-21H,4-5,8-17H2/t21-/m0/s1

InChI Key

CPMPZJMBVSTSPF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31984300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

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

3.363

Distribution Coefficient, logD

0.857

Water Solubility, LogSw

-3.38

Polar Surface Area

26.764

Acid Dissociation Constant (pKa)

25.65

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.57

S631-0296 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S631-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S631-0296?
Check Price and Availability of S631-0296, 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 S631-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S631-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S631-0296
  • 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 S631-0296 available by request