G817-0591 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(piperidin-1-yl)isoquinoline-4-carboxamide

G817-0591 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(piperidin-1-yl)isoquinoline-4-carboxamide
G817-0591 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(piperidin-1-yl)isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0591
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(piperidin-1-yl)isoquinoline-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

G817-0591

Molecular Formula

C23H24ClN3O2 (C23 H24 ClN3 O2)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-1-(piperidin-1-yl)isoquinoline-4-carboxamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-1-(piperidin-1-yl)isoquinoline-4-carboxamide

SMILES

Cc(cc(c(OC)c1)NC(c(c2ccccc22)cnc2N2CCCCC2)=O)c1Cl

InChI

InChI=1S/C23H24ClN3O2/c1-15-12-20(21(29-2)13-19(15)24)26-23(28)18-14-25-22(27-10-6-3-7-11-27)17-9-5-4-8-16(17)18/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,26,28)

InChI Key

DJRVFGCRTYDFBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.878

Distribution Coefficient, logD

5.874

Water Solubility, LogSw

-5.91

Polar Surface Area

42.514

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G817-0591 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G817-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0591?
Check Price and Availability of G817-0591, 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 G817-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0591
  • 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 G817-0591 available by request