G817-0413 Screening compound: N-[2-(4-methylphenyl)ethyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide

G817-0413 Screening compound: N-[2-(4-methylphenyl)ethyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide
G817-0413 Screening compound: N-[2-(4-methylphenyl)ethyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0413
N-[2-(4-methylphenyl)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

G817-0413

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CCNC(c(c2ccccc22)cnc2N2CCOCC2)=O)cc1

InChI

InChI=1S/C23H25N3O2/c1-17-6-8-18(9-7-17)10-11-24-23(27)21-16-25-22(26-12-14-28-15-13-26)20-5-3-2-4-19(20)21/h2-9,16H,10-15H2,1H3,(H,24,27)

InChI Key

HLDOMOPIMMPVPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-3.75

Polar Surface Area

44.653

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G817-0413 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

PI3K-Targeted Library (17255 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with G817-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0413?
Check Price and Availability of G817-0413, 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 G817-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0413
  • 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 G817-0413 available by request