S480-0077 Screening compound: N~1~-[3-(methylsulfanyl)phenyl]-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide

S480-0077 Screening compound: N~1~-[3-(methylsulfanyl)phenyl]-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide
S480-0077 Screening compound: N~1~-[3-(methylsulfanyl)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 S480-0077
N~1~-[3-(methylsulfanyl)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

S480-0077

Molecular Formula

C16H19N3O5S2 (C16 H19 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc1cccc(NC(CN(C(C(CC2)(CCS2(=O)=O)N2)=O)C2=O)=O)c1

InChI

InChI=1S/C16H19N3O5S2/c1-25-12-4-2-3-11(9-12)17-13(20)10-19-14(21)16(18-15(19)22)5-7-26(23,24)8-6-16/h2-4,9H,5-8,10H2,1H3,(H,17,20)(H,18,22)

InChI Key

MFBJFPFNFZAGGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.318

Distribution Coefficient, logD

0.318

Water Solubility, LogSw

-2.37

Polar Surface Area

93.058

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

S480-0077 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S480-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S480-0077?
Check Price and Availability of S480-0077, 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 S480-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S480-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S480-0077
  • 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 S480-0077 available by request