S855-0002 Screening compound: N-({2-azaspiro[4.5]decan-4-yl}methyl)acetamide

S855-0002 Screening compound: N-({2-azaspiro[4.5]decan-4-yl}methyl)acetamide
S855-0002 Screening compound: N-({2-azaspiro[4.5]decan-4-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S855-0002
N-({2-azaspiro[4.5]decan-4-yl}methyl)acetamide

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

S855-0002

Molecular Formula

C12H22N2O (C12 H22 N2 O)

Compound Name

N-({2-azaspiro[4.5]decan-4-yl}methyl)acetamide

IUPAC name

N-({2-azaspiro[4.5]decan-4-yl}methyl)acetamide

SMILES

CC(NCC(CNC1)C11CCCCC1)=O

InChI

InChI=1S/C12H22N2O/c1-10(15)14-8-11-7-13-9-12(11)5-3-2-4-6-12/h11,13H,2-9H2,1H3,(H,14,15)/t11-/m1/s1

InChI Key

ODYVVWLCVXWZSP-LLVKDONJSA-N

MDL Number (MFCD)

MFCD30459235

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

210.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.670

Distribution Coefficient, logD

-4.349

Water Solubility, LogSw

-0.87

Polar Surface Area

37.124

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

12.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

91.67

S855-0002 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S855-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S855-0002?
Check Price and Availability of S855-0002, 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 S855-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S855-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S855-0002
  • 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 S855-0002 available by request