C066-1748 Screening compound: 1-[(3-chloro-4-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide

C066-1748 Screening compound: 1-[(3-chloro-4-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide
C066-1748 Screening compound: 1-[(3-chloro-4-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1748
1-[(3-chloro-4-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]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

C066-1748

Molecular Formula

C24H19ClFN3O (C24 H19 ClFN3 O)

Compound Name

1-[(3-chloro-4-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide

IUPAC name

1-[(3-chloro-4-methylphenyl)amino]-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide

SMILES

Cc(ccc(Nc1ncc(C(NCc(cc2)ccc2F)=O)c2ccccc12)c1)c1Cl

InChI

InChI=1S/C24H19ClFN3O/c1-15-6-11-18(12-22(15)25)29-23-20-5-3-2-4-19(20)21(14-27-23)24(30)28-13-16-7-9-17(26)10-8-16/h2-12,14H,13H2,1H3,(H,27,29)(H,28,30)

InChI Key

VEWPSNUHBJJLBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.229

Distribution Coefficient, logD

6.203

Water Solubility, LogSw

-6.04

Polar Surface Area

43.070

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C066-1748 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-1748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1748?
Check Price and Availability of C066-1748, 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 C066-1748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1748
  • 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 C066-1748 available by request