S388-0232 Screening compound: 2-(3-chlorophenyl)-8-[3-(4-methoxyphenyl)propanoyl]-1,2,4,8-tetraazaspiro[4.5]decan-3-one

S388-0232 Screening compound: 2-(3-chlorophenyl)-8-[3-(4-methoxyphenyl)propanoyl]-1,2,4,8-tetraazaspiro[4.5]decan-3-one
S388-0232 Screening compound: 2-(3-chlorophenyl)-8-[3-(4-methoxyphenyl)propanoyl]-1,2,4,8-tetraazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S388-0232
2-(3-chlorophenyl)-8-[3-(4-methoxyphenyl)propanoyl]-1,2,4,8-tetraazaspiro[4.5]decan-3-one

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

S388-0232

Molecular Formula

C22H25ClN4O3 (C22 H25 ClN4 O3)

Compound Name

2-(3-chlorophenyl)-8-[3-(4-methoxyphenyl)propanoyl]-1,2,4,8-tetraazaspiro[4.5]decan-3-one

IUPAC name

2-(3-chlorophenyl)-8-[3-(4-methoxyphenyl)propanoyl]-1248-tetraazaspiro[4.5]decan-3-one

SMILES

COc1ccc(CCC(N(CC2)CCC2(NC2=O)NN2c2cccc(Cl)c2)=O)cc1

InChI

InChI=1S/C22H25ClN4O3/c1-30-19-8-5-16(6-9-19)7-10-20(28)26-13-11-22(12-14-26)24-21(29)27(25-22)18-4-2-3-17(23)15-18/h2-6,8-9,15,25H,7,10-14H2,1H3,(H,24,29)

InChI Key

FEYZVUCYIVTQIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.72

Polar Surface Area

64.528

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

S388-0232 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S388-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S388-0232?
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What is the minimum amount of S388-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S388-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S388-0232
  • 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 S388-0232 available by request