S480-0068 Screening compound: N~1~-methyl-N~1~-phenyl-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide

S480-0068 Screening compound: N~1~-methyl-N~1~-phenyl-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide
S480-0068 Screening compound: N~1~-methyl-N~1~-phenyl-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S480-0068
N~1~-methyl-N~1~-phenyl-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)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

S480-0068

Molecular Formula

C16H19N3O5S (C16 H19 N3 O5 S)

Compound Name

N~1~-methyl-N~1~-phenyl-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide

IUPAC name

N-methyl-N-phenyl-2-{2488-tetraoxo-8lambda6-thia-13-diazaspiro[4.5]decan-3-yl}acetamide

SMILES

CN(C(CN(C(C(CC1)(CCS1(=O)=O)N1)=O)C1=O)=O)c1ccccc1

InChI

InChI=1S/C16H19N3O5S/c1-18(12-5-3-2-4-6-12)13(20)11-19-14(21)16(17-15(19)22)7-9-25(23,24)10-8-16/h2-6H,7-11H2,1H3,(H,17,22)

InChI Key

ZQOKKDIEQDVVGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.967

Distribution Coefficient, logD

-0.967

Water Solubility, LogSw

-2.07

Polar Surface Area

85.022

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

S480-0068 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S480-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S480-0068?
Check Price and Availability of S480-0068, 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 S480-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S480-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S480-0068
  • 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 S480-0068 available by request