S480-0037 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide

S480-0037 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide
S480-0037 Screening compound: N~1~-(2,5-dimethoxyphenyl)-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 S480-0037
N~1~-(2,5-dimethoxyphenyl)-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

S480-0037

Molecular Formula

C17H21N3O7S (C17 H21 N3 O7 S)

Compound Name

N~1~-(2,5-dimethoxyphenyl)-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-{2488-tetraoxo-8lambda6-thia-13-diazaspiro[4.5]decan-3-yl}acetamide

SMILES

COc(cc1)cc(NC(CN(C(C(CC2)(CCS2(=O)=O)N2)=O)C2=O)=O)c1OC

InChI

InChI=1S/C17H21N3O7S/c1-26-11-3-4-13(27-2)12(9-11)18-14(21)10-20-15(22)17(19-16(20)23)5-7-28(24,25)8-6-17/h3-4,9H,5-8,10H2,1-2H3,(H,18,21)(H,19,23)

InChI Key

ZNIGTYFQHMKRRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.459

Distribution Coefficient, logD

-0.460

Water Solubility, LogSw

-2.28

Polar Surface Area

107.534

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

S480-0037 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S480-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S480-0037?
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What is the minimum amount of S480-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S480-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S480-0037
  • 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 S480-0037 available by request