G817-0344 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide

G817-0344 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide
G817-0344 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0344
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

G817-0344

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide

SMILES

O=C(c(c1ccccc11)cnc1N1CCOCC1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H21N3O4/c26-22(24-12-15-5-6-19-20(11-15)29-14-28-19)18-13-23-21(25-7-9-27-10-8-25)17-4-2-1-3-16(17)18/h1-6,11,13H,7-10,12,14H2,(H,24,26)

InChI Key

JPCAHLMNCQMZOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.52

Polar Surface Area

61.927

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G817-0344 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with G817-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0344?
Check Price and Availability of G817-0344, 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 G817-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0344
  • 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 G817-0344 available by request