S395-0313 Screening compound: 8-[2-(4-chlorophenyl)acetyl]-3-[(4-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

S395-0313 Screening compound: 8-[2-(4-chlorophenyl)acetyl]-3-[(4-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
S395-0313 Screening compound: 8-[2-(4-chlorophenyl)acetyl]-3-[(4-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S395-0313
8-[2-(4-chlorophenyl)acetyl]-3-[(4-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

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

S395-0313

Molecular Formula

C23H24ClN3O3 (C23 H24 ClN3 O3)

Compound Name

8-[2-(4-chlorophenyl)acetyl]-3-[(4-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

IUPAC name

8-[2-(4-chlorophenyl)acetyl]-3-[(4-methylphenyl)methyl]-138-triazaspiro[4.5]decane-24-dione

SMILES

Cc1ccc(CN(C(C(CC2)(CCN2C(Cc(cc2)ccc2Cl)=O)N2)=O)C2=O)cc1

InChI

InChI=1S/C23H24ClN3O3/c1-16-2-4-18(5-3-16)15-27-21(29)23(25-22(27)30)10-12-26(13-11-23)20(28)14-17-6-8-19(24)9-7-17/h2-9H,10-15H2,1H3,(H,25,30)

InChI Key

IXSGSBSBUVCQLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.82

Polar Surface Area

57.766

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

S395-0313 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 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:
  • Nervous system
  • Eye
  • Cancer
  • Endocrine
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S395-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S395-0313?
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What is the minimum amount of S395-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S395-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S395-0313
  • 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 S395-0313 available by request