8016-5190 Screening compound: 2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide

8016-5190 Screening compound: 2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide
8016-5190 Screening compound: 2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5190
2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-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

8016-5190

Molecular Formula

C20H19N3O (C20 H19 N3 O)

Compound Name

2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide

IUPAC name

2-benzyl-1H2H3H4H-benzo[b]16-naphthyridine-10-carboxamide

SMILES

NC(c1c(CN(Cc2ccccc2)CC2)c2nc2ccccc12)=O

InChI

InChI=1S/C20H19N3O/c21-20(24)19-15-8-4-5-9-17(15)22-18-10-11-23(13-16(18)19)12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H2,21,24)

InChI Key

FVDYFFVHDHOWAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04025205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.944

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-2.38

Polar Surface Area

47.523

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8016-5190 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-5190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5190?
Check Price and Availability of 8016-5190, 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 8016-5190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5190
  • 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 8016-5190 available by request