C138-0817 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

C138-0817 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide
C138-0817 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0817
N-{2-[butyl(ethyl)amino]ethyl}-1-[(2-methoxyphenyl)amino]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

C138-0817

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

N-{2-[butyl(ethyl)amino]ethyl}-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

IUPAC name

N-{2-[butyl(ethyl)amino]ethyl}-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

SMILES

CCCCN(CC)CCNC(c(c1ccccc11)cnc1Nc(cccc1)c1OC)=O

InChI

InChI=1S/C25H32N4O2/c1-4-6-16-29(5-2)17-15-26-25(30)21-18-27-24(20-12-8-7-11-19(20)21)28-22-13-9-10-14-23(22)31-3/h7-14,18H,4-6,15-17H2,1-3H3,(H,26,30)(H,27,28)

InChI Key

YRGYZDFGHJSFML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.916

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-4.53

Polar Surface Area

53.780

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C138-0817 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C138-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0817?
Check Price and Availability of C138-0817, 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 C138-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0817
  • 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 C138-0817 available by request