S388-0409 Screening compound: 8-[4-(dimethylamino)benzoyl]-2-(3-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one

S388-0409 Screening compound: 8-[4-(dimethylamino)benzoyl]-2-(3-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
S388-0409 Screening compound: 8-[4-(dimethylamino)benzoyl]-2-(3-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S388-0409
8-[4-(dimethylamino)benzoyl]-2-(3-fluorophenyl)-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

S388-0409

Molecular Formula

C21H24FN5O2 (C21 H24 FN5 O2)

Compound Name

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

IUPAC name

8-[4-(dimethylamino)benzoyl]-2-(3-fluorophenyl)-1248-tetraazaspiro[4.5]decan-3-one

SMILES

CN(C)c(cc1)ccc1C(N(CC1)CCC1(NC1=O)NN1c1cccc(F)c1)=O

InChI

InChI=1S/C21H24FN5O2/c1-25(2)17-8-6-15(7-9-17)19(28)26-12-10-21(11-13-26)23-20(29)27(24-21)18-5-3-4-16(22)14-18/h3-9,14,24H,10-13H2,1-2H3,(H,23,29)

InChI Key

ZYAIBYBDLRFRGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-3.06

Polar Surface Area

60.316

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S388-0409 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 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
  • Hemic and lymphatic
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
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 S388-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S388-0409?
Check Price and Availability of S388-0409, 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 S388-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S388-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S388-0409
  • 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 S388-0409 available by request