S588-0623 Screening compound: N~8~-cyclopentyl-4-(2-methoxyethyl)-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

S588-0623 Screening compound: N~8~-cyclopentyl-4-(2-methoxyethyl)-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
S588-0623 Screening compound: N~8~-cyclopentyl-4-(2-methoxyethyl)-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S588-0623
N~8~-cyclopentyl-4-(2-methoxyethyl)-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

S588-0623

Molecular Formula

C16H27N3O4S (C16 H27 N3 O4 S)

Compound Name

N~8~-cyclopentyl-4-(2-methoxyethyl)-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

IUPAC name

N-cyclopentyl-4-(2-methoxyethyl)-13-dioxo-1lambda4-thia-48-diazaspiro[4.5]decane-8-carboxamide

SMILES

COCCN(C(CC1)(CCN1C(NC1CCCC1)=O)S(C1)=O)C1=O

InChI

InChI=1S/C16H29N3O4S/c1-23-11-10-19-14(20)12-24(22)16(19)6-8-18(9-7-16)15(21)17-13-4-2-3-5-13/h13H,2-12,24H2,1H3,(H,17,21)

InChI Key

LKHFCUSUZJEQGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.535

Distribution Coefficient, logD

0.535

Water Solubility, LogSw

-1.81

Polar Surface Area

67.136

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

87.50

S588-0623 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)

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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S588-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S588-0623?
Check Price and Availability of S588-0623, 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 S588-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S588-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S588-0623
  • 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 S588-0623 available by request