V017-1876 Screening compound: 2-cyclopropyl-3-(3-methylphenyl)-1-oxo-N-[(pyridin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

V017-1876 Screening compound: 2-cyclopropyl-3-(3-methylphenyl)-1-oxo-N-[(pyridin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
V017-1876 Screening compound: 2-cyclopropyl-3-(3-methylphenyl)-1-oxo-N-[(pyridin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-1876
2-cyclopropyl-3-(3-methylphenyl)-1-oxo-N-[(pyridin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-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

V017-1876

Molecular Formula

C26H25N3O2 (C26 H25 N3 O2)

Compound Name

2-cyclopropyl-3-(3-methylphenyl)-1-oxo-N-[(pyridin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

2-cyclopropyl-3-(3-methylphenyl)-1-oxo-N-[(pyridin-4-yl)methyl]-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

Cc1cccc(C(C(C(NCc2ccncc2)=O)c2c3cccc2)N(C2CC2)C3=O)c1

InChI

InChI=1S/C26H25N3O2/c1-17-5-4-6-19(15-17)24-23(25(30)28-16-18-11-13-27-14-12-18)21-7-2-3-8-22(21)26(31)29(24)20-9-10-20/h2-8,11-15,20,23-24H,9-10,16H2,1H3,(H,28,30)

InChI Key

POJWPHLYHJMBFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19974810

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.132

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.22

Polar Surface Area

49.045

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

V017-1876 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-1876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-1876?
Check Price and Availability of V017-1876, 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 V017-1876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-1876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-1876
  • 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 V017-1876 available by request