S856-0002 Screening compound: 1-[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methanamine

S856-0002 Screening compound: 1-[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methanamine
S856-0002 Screening compound: 1-[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S856-0002
1-[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methanamine

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

S856-0002

Molecular Formula

C13H26N2 (C13 H26 N2)

Compound Name

1-[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methanamine

IUPAC name

1-[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methanamine

SMILES

CC(C)N1CC2(CCCCC2)C(CN)C1

InChI

InChI=1S/C13H26N2/c1-11(2)15-9-12(8-14)13(10-15)6-4-3-5-7-13/h11-12H,3-10,14H2,1-2H3/t12-/m1/s1

InChI Key

SGADROUBVGXYFM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD31968941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

0.922

Distribution Coefficient, logD

-3.562

Water Solubility, LogSw

-0.61

Polar Surface Area

26.108

Acid Dissociation Constant (pKa)

27.01

Base Dissociation Constant (pKb)

11.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

S856-0002 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S856-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S856-0002?
Check Price and Availability of S856-0002, 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 S856-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S856-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S856-0002
  • 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 S856-0002 available by request