S480-0194 Screening compound: N~1~,N~1~-diallyl-4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzamide

S480-0194 Screening compound: N~1~,N~1~-diallyl-4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzamide
S480-0194 Screening compound: N~1~,N~1~-diallyl-4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S480-0194
N~1~,N~1~-diallyl-4-[(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)methyl]benzamide

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

S480-0194

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

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

IUPAC name

NN-bis(prop-2-en-1-yl)-4-({2488-tetraoxo-8lambda6-thia-13-diazaspiro[4.5]decan-3-yl}methyl)benzamide

SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-3-11-23(12-4-2)18(25)17-7-5-16(6-8-17)15-24-19(26)21(22-20(24)27)9-13-30(28,29)14-10-21/h3-8H,1-2,9-15H2,(H,22,27)

InChI Key

XYAZMCFNQPTAOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.660

Distribution Coefficient, logD

0.660

Water Solubility, LogSw

-2.30

Polar Surface Area

86.348

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S480-0194 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 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
Therapeutical areas:
  • Cancer
  • Endocrine
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S480-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S480-0194?
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What is the minimum amount of S480-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S480-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S480-0194
  • 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 S480-0194 available by request