S855-0696 Screening compound: N-{[2-(2,5-dimethoxybenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide

S855-0696 Screening compound: N-{[2-(2,5-dimethoxybenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide
S855-0696 Screening compound: N-{[2-(2,5-dimethoxybenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S855-0696
N-{[2-(2,5-dimethoxybenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide

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

S855-0696

Molecular Formula

C22H32N2O5S (C22 H32 N2 O5 S)

Compound Name

N-{[2-(2,5-dimethoxybenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide

IUPAC name

N-{[2-(25-dimethoxybenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}cyclopropanecarboxamide

SMILES

COc(cc1)cc(S(N2CC3(CCCCC3)C(CNC(C3CC3)=O)C2)(=O)=O)c1OC

InChI

InChI=1S/C22H32N2O5S/c1-28-18-8-9-19(29-2)20(12-18)30(26,27)24-14-17(13-23-21(25)16-6-7-16)22(15-24)10-4-3-5-11-22/h8-9,12,16-17H,3-7,10-11,13-15H2,1-2H3,(H,23,25)/t17-/m1/s1

InChI Key

QYJBPJVRVHHQQR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31995252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.49

Polar Surface Area

72.214

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

S855-0696 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S855-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S855-0696?
Check Price and Availability of S855-0696, 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 S855-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S855-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S855-0696
  • 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 S855-0696 available by request