S254-0687 Screening compound: 4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxamide

S254-0687 Screening compound: 4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxamide
S254-0687 Screening compound: 4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S254-0687
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxamide

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

S254-0687

Molecular Formula

C22H23F2N3O3 (C22 H23 F2 N3 O3)

Compound Name

4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxamide

IUPAC name

(2S4S)-4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-(1234-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxamide

SMILES

COc(ccc(NC(N(C[C@H](C1)F)[C@@H]1C(N(CC1)Cc2c1cccc2)=O)=O)c1)c1F

InChI

InChI=1S/C22H23F2N3O3/c1-30-20-7-6-17(11-18(20)24)25-22(29)27-13-16(23)10-19(27)21(28)26-9-8-14-4-2-3-5-15(14)12-26/h2-7,11,16,19H,8-10,12-13H2,1H3,(H,25,29)/t16-,19+/m1/s1

InChI Key

MJQNKAQPKVQTRH-APWZRJJASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.44

Polar Surface Area

49.642

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

S254-0687 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Natural-Product-Based Library (3730 compounds)

PI3K-Targeted Library (17255 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels
  • Kinases
Structure:
  • Pool
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S254-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S254-0687?
Check Price and Availability of S254-0687, 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 S254-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S254-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S254-0687
  • 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 S254-0687 available by request