C066-2362 Screening compound: N-(4-chloro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-amine

C066-2362 Screening compound: N-(4-chloro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-amine
C066-2362 Screening compound: N-(4-chloro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2362
N-(4-chloro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-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

C066-2362

Molecular Formula

C28H27ClN4O3 (C28 H27 ClN4 O3)

Compound Name

N-(4-chloro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-amine

IUPAC name

N-(4-chloro-2-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-amine

SMILES

COc(cccc1)c1N(CC1)CCN1C(c(c1ccccc11)cnc1Nc(ccc(Cl)c1)c1OC)=O

InChI

InChI=1S/C28H27ClN4O3/c1-35-25-10-6-5-9-24(25)32-13-15-33(16-14-32)28(34)22-18-30-27(21-8-4-3-7-20(21)22)31-23-12-11-19(29)17-26(23)36-2/h3-12,17-18H,13-16H2,1-2H3,(H,30,31)

InChI Key

CIDPPRUOEHRGOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.680

Distribution Coefficient, logD

5.308

Water Solubility, LogSw

-5.93

Polar Surface Area

52.827

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C066-2362 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with C066-2362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2362?
Check Price and Availability of C066-2362, 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 C066-2362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2362
  • 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 C066-2362 available by request