G817-0708 Screening compound: N~4~-(2-furylmethyl)-N~4~-methyl-1-piperidino-4-isoquinolinecarboxamide

G817-0708 Screening compound: N~4~-(2-furylmethyl)-N~4~-methyl-1-piperidino-4-isoquinolinecarboxamide
G817-0708 Screening compound: N~4~-(2-furylmethyl)-N~4~-methyl-1-piperidino-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0708
N~4~-(2-furylmethyl)-N~4~-methyl-1-piperidino-4-isoquinolinecarboxamide

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

G817-0708

Molecular Formula

C21H23N3O2 (C21 H23 N3 O2)

Compound Name

N~4~-(2-furylmethyl)-N~4~-methyl-1-piperidino-4-isoquinolinecarboxamide

IUPAC name

N-[(furan-2-yl)methyl]-N-methyl-1-(piperidin-1-yl)isoquinoline-4-carboxamide

SMILES

CN(Cc1ccco1)C(c(c1ccccc11)cnc1N1CCCCC1)=O

InChI

InChI=1S/C21H23N3O2/c1-23(15-16-8-7-13-26-16)21(25)19-14-22-20(24-11-5-2-6-12-24)18-10-4-3-9-17(18)19/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3

InChI Key

JCIFXCNYXONQBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-3.87

Polar Surface Area

36.389

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

G817-0708 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G817-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0708?
Check Price and Availability of G817-0708, 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 G817-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0708
  • 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 G817-0708 available by request