S855-0199 Screening compound: dimethyl({[2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl})amine

S855-0199 Screening compound: dimethyl({[2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl})amine
S855-0199 Screening compound: dimethyl({[2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S855-0199
dimethyl({[2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl})amine

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

S855-0199

Molecular Formula

C17H27N3O2S (C17 H27 N3 O2 S)

Compound Name

dimethyl({[2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl})amine

IUPAC name

dimethyl({[2-(pyridine-3-sulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl})amine

SMILES

CN(C)CC(CN(C1)S(c2cnccc2)(=O)=O)C11CCCCC1

InChI

InChI=1S/C17H27N3O2S/c1-19(2)12-15-13-20(14-17(15)8-4-3-5-9-17)23(21,22)16-7-6-10-18-11-16/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3/t15-/m1/s1

InChI Key

YTLINEWLEAJQCC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32228431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

0.519

Water Solubility, LogSw

-1.87

Polar Surface Area

45.508

Acid Dissociation Constant (pKa)

27.77

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

S855-0199 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S855-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S855-0199?
Check Price and Availability of S855-0199, 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 S855-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S855-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S855-0199
  • 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 S855-0199 available by request