S855-0464 Screening compound: N-({2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-azaspiro[4.5]decan-4-yl}methyl)acetamide

S855-0464 Screening compound: N-({2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-azaspiro[4.5]decan-4-yl}methyl)acetamide
S855-0464 Screening compound: N-({2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-azaspiro[4.5]decan-4-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S855-0464
N-({2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-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

S855-0464

Molecular Formula

C17H28N4O3S (C17 H28 N4 O3 S)

Compound Name

N-({2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-azaspiro[4.5]decan-4-yl}methyl)acetamide

IUPAC name

N-({2-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-azaspiro[4.5]decan-4-yl}methyl)acetamide

SMILES

CCn1ncc(S(N2CC3(CCCCC3)C(CNC(C)=O)C2)(=O)=O)c1

InChI

InChI=1S/C17H28N4O3S/c1-3-20-12-16(10-19-20)25(23,24)21-11-15(9-18-14(2)22)17(13-21)7-5-4-6-8-17/h10,12,15H,3-9,11,13H2,1-2H3,(H,18,22)/t15-/m1/s1

InChI Key

FJWKLIJZTQIZGB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32228587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.649

Distribution Coefficient, logD

0.649

Water Solubility, LogSw

-1.81

Polar Surface Area

71.189

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

S855-0464 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S855-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S855-0464?
Check Price and Availability of S855-0464, 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 S855-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S855-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S855-0464
  • 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 S855-0464 available by request