S480-0190 Screening compound: 3-[4-(1,4-thiazinan-4-ylcarbonyl)benzyl]-8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone

S480-0190 Screening compound: 3-[4-(1,4-thiazinan-4-ylcarbonyl)benzyl]-8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone
S480-0190 Screening compound: 3-[4-(1,4-thiazinan-4-ylcarbonyl)benzyl]-8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound S480-0190
3-[4-(1,4-thiazinan-4-ylcarbonyl)benzyl]-8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone

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

S480-0190

Molecular Formula

C19H23N3O5S2 (C19 H23 N3 O5 S2)

Compound Name

3-[4-(1,4-thiazinan-4-ylcarbonyl)benzyl]-8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone

IUPAC name

3-{[4-(thiomorpholine-4-carbonyl)phenyl]methyl}-8lambda6-thia-13-diazaspiro[4.5]decane-2488-tetrone

SMILES

O=C(c1ccc(CN(C(C(CC2)(CCS2(=O)=O)N2)=O)C2=O)cc1)N1CCSCC1

InChI

InChI=1S/C19H23N3O5S2/c23-16(21-7-9-28-10-8-21)15-3-1-14(2-4-15)13-22-17(24)19(20-18(22)25)5-11-29(26,27)12-6-19/h1-4H,5-13H2,(H,20,25)

InChI Key

SPMWLBIUHCBKQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.212

Distribution Coefficient, logD

-0.212

Water Solubility, LogSw

-2.23

Polar Surface Area

86.557

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

S480-0190 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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

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

References: we are preparing a list of scientific research reports with S480-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S480-0190?
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What is the minimum amount of S480-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S480-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S480-0190
  • 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 S480-0190 available by request