C066-1780 Screening compound: N-(3-chloro-4-methylphenyl)-4-(4-propylpiperazine-1-carbonyl)isoquinolin-1-amine

C066-1780 Screening compound: N-(3-chloro-4-methylphenyl)-4-(4-propylpiperazine-1-carbonyl)isoquinolin-1-amine
C066-1780 Screening compound: N-(3-chloro-4-methylphenyl)-4-(4-propylpiperazine-1-carbonyl)isoquinolin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1780
N-(3-chloro-4-methylphenyl)-4-(4-propylpiperazine-1-carbonyl)isoquinolin-1-amine

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

C066-1780

Molecular Formula

C24H27ClN4O (C24 H27 ClN4 O)

Compound Name

N-(3-chloro-4-methylphenyl)-4-(4-propylpiperazine-1-carbonyl)isoquinolin-1-amine

IUPAC name

N-(3-chloro-4-methylphenyl)-4-(4-propylpiperazine-1-carbonyl)isoquinolin-1-amine

SMILES

CCCN(CC1)CCN1C(c(c1ccccc11)cnc1Nc1cc(Cl)c(C)cc1)=O

InChI

InChI=1S/C24H27ClN4O/c1-3-10-28-11-13-29(14-12-28)24(30)21-16-26-23(20-7-5-4-6-19(20)21)27-18-9-8-17(2)22(25)15-18/h4-9,15-16H,3,10-14H2,1-2H3,(H,26,27)

InChI Key

MSGYKWVCANKJCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.96

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

5.089

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-5.23

Polar Surface Area

39.095

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C066-1780 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-1780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1780?
Check Price and Availability of C066-1780, 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 C066-1780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1780
  • 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 C066-1780 available by request