S588-0291 Screening compound: N~8~-cyclohexyl-4-cyclopentyl-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

S588-0291 Screening compound: N~8~-cyclohexyl-4-cyclopentyl-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
S588-0291 Screening compound: N~8~-cyclohexyl-4-cyclopentyl-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S588-0291
N~8~-cyclohexyl-4-cyclopentyl-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

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

S588-0291

Molecular Formula

C19H31N3O3S (C19 H31 N3 O3 S)

Compound Name

N~8~-cyclohexyl-4-cyclopentyl-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

IUPAC name

N-cyclohexyl-4-cyclopentyl-13-dioxo-1lambda4-thia-48-diazaspiro[4.5]decane-8-carboxamide

SMILES

O=C(NC1CCCCC1)N(CC1)CCC1(N(C1CCCC1)C(C1)=O)S1=O

InChI

InChI=1S/C19H33N3O3S/c23-17-14-26(25)19(22(17)16-8-4-5-9-16)10-12-21(13-11-19)18(24)20-15-6-2-1-3-7-15/h15-16H,1-14,26H2,(H,20,24)

InChI Key

PLRIKMMVDNABJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.190

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.39

Polar Surface Area

57.765

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

89.47

S588-0291 in Drug Discovery

Included in Screening Libraries

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

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

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S588-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S588-0291?
Check Price and Availability of S588-0291, 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 S588-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S588-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S588-0291
  • 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 S588-0291 available by request