S631-0212 Screening compound: N-methyl-4-{1-oxo-3-phenyl-2-azaspiro[3.4]octan-2-yl}piperidine-1-carboxamide

S631-0212 Screening compound: N-methyl-4-{1-oxo-3-phenyl-2-azaspiro[3.4]octan-2-yl}piperidine-1-carboxamide
S631-0212 Screening compound: N-methyl-4-{1-oxo-3-phenyl-2-azaspiro[3.4]octan-2-yl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S631-0212
N-methyl-4-{1-oxo-3-phenyl-2-azaspiro[3.4]octan-2-yl}piperidine-1-carboxamide

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

S631-0212

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

N-methyl-4-{1-oxo-3-phenyl-2-azaspiro[3.4]octan-2-yl}piperidine-1-carboxamide

IUPAC name

N-methyl-4-{1-oxo-3-phenyl-2-azaspiro[3.4]octan-2-yl}piperidine-1-carboxamide

SMILES

CNC(N(CC1)CCC1N(C(C12CCCC2)c2ccccc2)C1=O)=O

InChI

InChI=1S/C20H27N3O2/c1-21-19(25)22-13-9-16(10-14-22)23-17(15-7-3-2-4-8-15)20(18(23)24)11-5-6-12-20/h2-4,7-8,16-17H,5-6,9-14H2,1H3,(H,21,25)/t17-/m0/s1

InChI Key

PRJJTFOCUQAQGL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31984218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.753

Water Solubility, LogSw

-2.97

Polar Surface Area

42.783

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S631-0212 in Drug Discovery

Included in Screening Libraries

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

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S631-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S631-0212?
Check Price and Availability of S631-0212, 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 S631-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S631-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S631-0212
  • 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 S631-0212 available by request