S855-0462 Screening compound: N-({2-[(3-fluorobenzyl)sulfonyl]-2-azaspiro[4.5]dec-4-yl}methyl)acetamide

S855-0462 Screening compound: N-({2-[(3-fluorobenzyl)sulfonyl]-2-azaspiro[4.5]dec-4-yl}methyl)acetamide
S855-0462 Screening compound: N-({2-[(3-fluorobenzyl)sulfonyl]-2-azaspiro[4.5]dec-4-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S855-0462
N-({2-[(3-fluorobenzyl)sulfonyl]-2-azaspiro[4.5]dec-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

S855-0462

Molecular Formula

C19H27FN2O3S (C19 H27 FN2 O3 S)

Compound Name

N-({2-[(3-fluorobenzyl)sulfonyl]-2-azaspiro[4.5]dec-4-yl}methyl)acetamide

IUPAC name

N-({2-[(3-fluorophenyl)methanesulfonyl]-2-azaspiro[4.5]decan-4-yl}methyl)acetamide

SMILES

CC(NCC(CN(C1)S(Cc2cc(F)ccc2)(=O)=O)C11CCCCC1)=O

InChI

InChI=1S/C19H27FN2O3S/c1-15(23)21-11-17-12-22(14-19(17)8-3-2-4-9-19)26(24,25)13-16-6-5-7-18(20)10-16/h5-7,10,17H,2-4,8-9,11-14H2,1H3,(H,21,23)/t17-/m1/s1

InChI Key

OLIBTOCSPZBYAX-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.73

Polar Surface Area

56.581

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S855-0462 in Drug Discovery

Included in Screening Libraries

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

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 S855-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S855-0462?
Check Price and Availability of S855-0462, 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 S855-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S855-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S855-0462
  • 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 S855-0462 available by request