G817-0286 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide

G817-0286 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide
G817-0286 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0286
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(morpholin-4-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

G817-0286

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide

SMILES

COc(ccc(CCNC(c(c1ccccc11)cnc1N1CCOCC1)=O)c1)c1OC

InChI

InChI=1S/C24H27N3O4/c1-29-21-8-7-17(15-22(21)30-2)9-10-25-24(28)20-16-26-23(27-11-13-31-14-12-27)19-6-4-3-5-18(19)20/h3-8,15-16H,9-14H2,1-2H3,(H,25,28)

InChI Key

ROEKUZCMUJWVMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

2.977

Water Solubility, LogSw

-3.20

Polar Surface Area

59.914

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G817-0286 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G817-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0286?
Check Price and Availability of G817-0286, 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 G817-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0286
  • 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 G817-0286 available by request