4130-5211 Screening compound: 2-phenyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)quinoline

4130-5211 Screening compound: 2-phenyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)quinoline
4130-5211 Screening compound: 2-phenyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5211
2-phenyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)quinoline

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

4130-5211

Molecular Formula

C25H20N2O (C25 H20 N2 O)

Compound Name

2-phenyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)quinoline

IUPAC name

2-phenyl-4-(1234-tetrahydroisoquinoline-2-carbonyl)quinoline

SMILES

O=C(c1cc(-c2ccccc2)nc2ccccc12)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H20N2O/c28-25(27-15-14-18-8-4-5-11-20(18)17-27)22-16-24(19-9-2-1-3-10-19)26-23-13-7-6-12-21(22)23/h1-13,16H,14-15,17H2

InChI Key

QJIYHKNUDOFFGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.546

Distribution Coefficient, logD

5.546

Water Solubility, LogSw

-6.20

Polar Surface Area

24.608

Acid Dissociation Constant (pKa)

24.90

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4130-5211 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4130-5211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5211?
Check Price and Availability of 4130-5211, 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 4130-5211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5211
  • 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 4130-5211 available by request