S480-0003 Screening compound: N~1~-cyclohexyl-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide

S480-0003 Screening compound: N~1~-cyclohexyl-2-(2,4,8,8-tetraoxo-8lambda~6~-thia-1,3-diazaspiro[4.5]dec-3-yl)acetamide
S480-0003 Screening compound: N~1~-cyclohexyl-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 S480-0003
N~1~-cyclohexyl-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

S480-0003

Molecular Formula

C15H23N3O5S (C15 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(C(CC1)(CCS1(=O)=O)N1)=O)C1=O)NC1CCCCC1

InChI

InChI=1S/C15H23N3O5S/c19-12(16-11-4-2-1-3-5-11)10-18-13(20)15(17-14(18)21)6-8-24(22,23)9-7-15/h11H,1-10H2,(H,16,19)(H,17,21)

InChI Key

CUFQXXRRZQRGGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.344

Distribution Coefficient, logD

-0.344

Water Solubility, LogSw

-1.67

Polar Surface Area

94.105

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

S480-0003 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 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

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S480-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S480-0003?
Check Price and Availability of S480-0003, 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 S480-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S480-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S480-0003
  • 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 S480-0003 available by request