S855-0456 Screening compound: N-{[2-(dimethylsulfamoyl)-2-azaspiro[4.5]decan-4-yl]methyl}acetamide

S855-0456 Screening compound: N-{[2-(dimethylsulfamoyl)-2-azaspiro[4.5]decan-4-yl]methyl}acetamide
S855-0456 Screening compound: N-{[2-(dimethylsulfamoyl)-2-azaspiro[4.5]decan-4-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S855-0456
N-{[2-(dimethylsulfamoyl)-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

S855-0456

Molecular Formula

C14H27N3O3S (C14 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NCC(CN(C1)S(N(C)C)(=O)=O)C11CCCCC1)=O

InChI

InChI=1S/C14H27N3O3S/c1-12(18)15-9-13-10-17(21(19,20)16(2)3)11-14(13)7-5-4-6-8-14/h13H,4-11H2,1-3H3,(H,15,18)/t13-/m1/s1

InChI Key

CTKCNPVUOHVGAD-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32228583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.446

Distribution Coefficient, logD

0.446

Water Solubility, LogSw

-1.70

Polar Surface Area

61.045

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.86

S855-0456 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 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

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

References: we are preparing a list of scientific research reports with S855-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S855-0456?
Check Price and Availability of S855-0456, 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 S855-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S855-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S855-0456
  • 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 S855-0456 available by request