S388-0329 Screening compound: 2-(3-fluorophenyl)-8-(3-methylthiophene-2-carbonyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one

S388-0329 Screening compound: 2-(3-fluorophenyl)-8-(3-methylthiophene-2-carbonyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
S388-0329 Screening compound: 2-(3-fluorophenyl)-8-(3-methylthiophene-2-carbonyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S388-0329
2-(3-fluorophenyl)-8-(3-methylthiophene-2-carbonyl)-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

S388-0329

Molecular Formula

C18H19FN4O2S (C18 H19 FN4 O2 S)

Compound Name

2-(3-fluorophenyl)-8-(3-methylthiophene-2-carbonyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one

IUPAC name

2-(3-fluorophenyl)-8-(3-methylthiophene-2-carbonyl)-1248-tetraazaspiro[4.5]decan-3-one

SMILES

Cc1c(C(N(CC2)CCC2(NC2=O)NN2c2cc(F)ccc2)=O)scc1

InChI

InChI=1S/C18H19FN4O2S/c1-12-5-10-26-15(12)16(24)22-8-6-18(7-9-22)20-17(25)23(21-18)14-4-2-3-13(19)11-14/h2-5,10-11,21H,6-9H2,1H3,(H,20,25)

InChI Key

QWAYYPHHPSVIHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-3.06

Polar Surface Area

58.530

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S388-0329 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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)

Anti-HIV1 Library (19540 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
  • Digestive system
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S388-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S388-0329?
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What is the minimum amount of S388-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S388-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S388-0329
  • 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 S388-0329 available by request