V009-5833 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide

V009-5833 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide
V009-5833 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5833
N-{bicyclo[2.2.1]heptan-2-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-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

V009-5833

Molecular Formula

C28H31N3O3 (C28 H31 N3 O3)

Compound Name

N-{bicyclo[2.2.1]heptan-2-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide

IUPAC name

N-[(1R4S)-bicyclo[2.2.1]heptan-2-yl]-2-(67-dimethoxy-1234-tetrahydroisoquinolin-2-yl)quinoline-4-carboxamide

SMILES

COc1cc(CCN(C2)c3nc4ccccc4c(C(NC4[C@@H](CC5)C[C@@H]5C4)=O)c3)c2cc1OC

InChI

InChI=1S/C28H31N3O3/c1-33-25-13-18-9-10-31(16-20(18)14-26(25)34-2)27-15-22(21-5-3-4-6-23(21)29-27)28(32)30-24-12-17-7-8-19(24)11-17/h3-6,13-15,17,19,24H,7-12,16H2,1-2H3,(H,30,32)/t17-,19+,24?/m1/s1

InChI Key

CIYRQSIMDVRHKI-HJZDTSKPSA-N

MDL Number (MFCD)

MFCD19953130

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.57

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

5.951

Distribution Coefficient, logD

5.951

Water Solubility, LogSw

-5.87

Polar Surface Area

51.589

Acid Dissociation Constant (pKa)

17.80

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

V009-5833 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V009-5833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5833?
Check Price and Availability of V009-5833, 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 V009-5833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5833
  • 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 V009-5833 available by request