S855-0930 Screening compound: N-{[2-(3-fluorobenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2-methoxyacetamide

S855-0930 Screening compound: N-{[2-(3-fluorobenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2-methoxyacetamide
S855-0930 Screening compound: N-{[2-(3-fluorobenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S855-0930
N-{[2-(3-fluorobenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2-methoxyacetamide

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

S855-0930

Molecular Formula

C19H27FN2O4S (C19 H27 FN2 O4 S)

Compound Name

N-{[2-(3-fluorobenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2-methoxyacetamide

IUPAC name

N-{[2-(3-fluorobenzenesulfonyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2-methoxyacetamide

SMILES

COCC(NCC(CN(C1)S(c2cc(F)ccc2)(=O)=O)C11CCCCC1)=O

InChI

InChI=1S/C19H27FN2O4S/c1-26-13-18(23)21-11-15-12-22(14-19(15)8-3-2-4-9-19)27(24,25)17-7-5-6-16(20)10-17/h5-7,10,15H,2-4,8-9,11-14H2,1H3,(H,21,23)/t15-/m1/s1

InChI Key

BVUDOPUKSVQGDZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31995374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.034

Distribution Coefficient, logD

2.034

Water Solubility, LogSw

-2.76

Polar Surface Area

64.998

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S855-0930 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

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 S855-0930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S855-0930?
Check Price and Availability of S855-0930, 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 S855-0930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S855-0930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S855-0930
  • 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 S855-0930 available by request