S646-0865 Screening compound: N-(propan-2-yl)-4-[1-(pyridin-4-yl)-2-azaspiro[3.5]nonan-2-yl]piperidine-1-carboxamide

S646-0865 Screening compound: N-(propan-2-yl)-4-[1-(pyridin-4-yl)-2-azaspiro[3.5]nonan-2-yl]piperidine-1-carboxamide
S646-0865 Screening compound: N-(propan-2-yl)-4-[1-(pyridin-4-yl)-2-azaspiro[3.5]nonan-2-yl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S646-0865
N-(propan-2-yl)-4-[1-(pyridin-4-yl)-2-azaspiro[3.5]nonan-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

S646-0865

Molecular Formula

C22H34N4O (C22 H34 N4 O)

Compound Name

N-(propan-2-yl)-4-[1-(pyridin-4-yl)-2-azaspiro[3.5]nonan-2-yl]piperidine-1-carboxamide

IUPAC name

N-(propan-2-yl)-4-[1-(pyridin-4-yl)-2-azaspiro[3.5]nonan-2-yl]piperidine-1-carboxamide

SMILES

CC(C)NC(N(CC1)CCC1N(CC12CCCCC2)C1c1ccncc1)=O

InChI

InChI=1S/C22H34N4O/c1-17(2)24-21(27)25-14-8-19(9-15-25)26-16-22(10-4-3-5-11-22)20(26)18-6-12-23-13-7-18/h6-7,12-13,17,19-20H,3-5,8-11,14-16H2,1-2H3,(H,24,27)/t20-/m1/s1

InChI Key

FNTFLDUEAPBUIH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD31997158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-3.51

Polar Surface Area

38.228

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.73

S646-0865 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S646-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S646-0865?
Check Price and Availability of S646-0865, 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 S646-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S646-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S646-0865
  • 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 S646-0865 available by request