S480-0187 Screening compound: 3-{4-[(4-methylpiperidino)carbonyl]benzyl}-8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone

S480-0187 Screening compound: 3-{4-[(4-methylpiperidino)carbonyl]benzyl}-8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone
S480-0187 Screening compound: 3-{4-[(4-methylpiperidino)carbonyl]benzyl}-8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound S480-0187
3-{4-[(4-methylpiperidino)carbonyl]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

S480-0187

Molecular Formula

C21H27N3O5S (C21 H27 N3 O5 S)

Compound Name

3-{4-[(4-methylpiperidino)carbonyl]benzyl}-8lambda~6~-thia-1,3-diazaspiro[4.5]decane-2,4,8,8-tetraone

IUPAC name

3-{[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl}-8lambda6-thia-13-diazaspiro[4.5]decane-2488-tetrone

SMILES

CC(CC1)CCN1C(c1ccc(CN(C(C(CC2)(CCS2(=O)=O)N2)=O)C2=O)cc1)=O

InChI

InChI=1S/C21H27N3O5S/c1-15-6-10-23(11-7-15)18(25)17-4-2-16(3-5-17)14-24-19(26)21(22-20(24)27)8-12-30(28,29)13-9-21/h2-5,15H,6-14H2,1H3,(H,22,27)

InChI Key

LBWTUOKEYXGSSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.694

Distribution Coefficient, logD

0.694

Water Solubility, LogSw

-2.33

Polar Surface Area

86.557

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

S480-0187 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 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

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S480-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S480-0187?
Check Price and Availability of S480-0187, 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 S480-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S480-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S480-0187
  • 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 S480-0187 available by request