S381-0783 Screening compound: 3-[(2,5-dimethylphenyl)methyl]-7-(3-fluoro-4-methoxybenzoyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione

S381-0783 Screening compound: 3-[(2,5-dimethylphenyl)methyl]-7-(3-fluoro-4-methoxybenzoyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione
S381-0783 Screening compound: 3-[(2,5-dimethylphenyl)methyl]-7-(3-fluoro-4-methoxybenzoyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S381-0783
3-[(2,5-dimethylphenyl)methyl]-7-(3-fluoro-4-methoxybenzoyl)-1,3,7-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

S381-0783

Molecular Formula

C24H26FN3O4 (C24 H26 FN3 O4)

Compound Name

3-[(2,5-dimethylphenyl)methyl]-7-(3-fluoro-4-methoxybenzoyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione

IUPAC name

3-[(25-dimethylphenyl)methyl]-7-(3-fluoro-4-methoxybenzoyl)-137-triazaspiro[4.5]decane-24-dione

SMILES

Cc1cc(CN(C(C(CCC2)(CN2C(c(cc2)cc(F)c2OC)=O)N2)=O)C2=O)c(C)cc1

InChI

InChI=1S/C24H26FN3O4/c1-15-5-6-16(2)18(11-15)13-28-22(30)24(26-23(28)31)9-4-10-27(14-24)21(29)17-7-8-20(32-3)19(25)12-17/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,26,31)/t24-/m0/s1

InChI Key

BQYUDKDCXKHGTE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD29032955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.379

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-3.51

Polar Surface Area

65.857

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S381-0783 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S381-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S381-0783?
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What is the minimum amount of S381-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S381-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S381-0783
  • 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 S381-0783 available by request