S254-0499 Screening compound: {(2S,4S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-fluorotetrahydro-1H-pyrrol-1-yl}(3-furyl)methanone

S254-0499 Screening compound: {(2S,4S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-fluorotetrahydro-1H-pyrrol-1-yl}(3-furyl)methanone
S254-0499 Screening compound: {(2S,4S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-fluorotetrahydro-1H-pyrrol-1-yl}(3-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S254-0499
{(2S,4S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-fluorotetrahydro-1H-pyrrol-1-yl}(3-furyl)methanone

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

S254-0499

Molecular Formula

C19H19FN2O3 (C19 H19 FN2 O3)

Compound Name

{(2S,4S)-2-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-fluorotetrahydro-1H-pyrrol-1-yl}(3-furyl)methanone

IUPAC name

2-[(2S4S)-4-fluoro-1-(furan-3-carbonyl)pyrrolidine-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C([C@H](C[C@@H](C1)F)N1C(c1cocc1)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C19H19FN2O3/c20-16-9-17(22(11-16)18(23)15-6-8-25-12-15)19(24)21-7-5-13-3-1-2-4-14(13)10-21/h1-4,6,8,12,16-17H,5,7,9-11H2/t16-,17+/m0/s1

InChI Key

JJPLFCGHKZCZQB-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.293

Distribution Coefficient, logD

2.293

Water Solubility, LogSw

-2.41

Polar Surface Area

40.993

Acid Dissociation Constant (pKa)

18.70

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

S254-0499 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Ion Channels
Structure:
  • Pool
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S254-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S254-0499?
Check Price and Availability of S254-0499, 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 S254-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S254-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S254-0499
  • 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 S254-0499 available by request