S395-0040 Screening compound: 3-[(4-chlorophenyl)methyl]-8-(2,5-difluorobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

S395-0040 Screening compound: 3-[(4-chlorophenyl)methyl]-8-(2,5-difluorobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
S395-0040 Screening compound: 3-[(4-chlorophenyl)methyl]-8-(2,5-difluorobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S395-0040
3-[(4-chlorophenyl)methyl]-8-(2,5-difluorobenzoyl)-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

S395-0040

Molecular Formula

C21H18ClF2N3O3 (C21 H18 ClF2 N3 O3)

Compound Name

3-[(4-chlorophenyl)methyl]-8-(2,5-difluorobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

IUPAC name

3-[(4-chlorophenyl)methyl]-8-(25-difluorobenzoyl)-138-triazaspiro[4.5]decane-24-dione

SMILES

O=C(c(cc(cc1)F)c1F)N(CC1)CCC1(C(N1Cc(cc2)ccc2Cl)=O)NC1=O

InChI

InChI=1S/C21H18ClF2N3O3/c22-14-3-1-13(2-4-14)12-27-19(29)21(25-20(27)30)7-9-26(10-8-21)18(28)16-11-15(23)5-6-17(16)24/h1-6,11H,7-10,12H2,(H,25,30)

InChI Key

FRXNGRTWFQBFHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.318

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.87

Polar Surface Area

58.293

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

S395-0040 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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)

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
  • Nervous system
  • Eye
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
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 S395-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S395-0040?
Check Price and Availability of S395-0040, 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 S395-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S395-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S395-0040
  • 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 S395-0040 available by request