C066-2085 Screening compound: 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

C066-2085 Screening compound: 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
C066-2085 Screening compound: 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2085
3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

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

C066-2085

Molecular Formula

C24H35N5O3 (C24 H35 N5 O3)

Compound Name

3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

IUPAC name

3-[2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamido]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

SMILES

CCCN1CCN(CCCNC(CCNC(CN(C=Cc2c3cccc2)C3=O)=O)=O)CC1

InChI

InChI=1S/C24H35N5O3/c1-2-12-27-15-17-28(18-16-27)13-5-10-25-22(30)8-11-26-23(31)19-29-14-9-20-6-3-4-7-21(20)24(29)32/h3-4,6-7,9,14H,2,5,8,10-13,15-19H2,1H3,(H,25,30)(H,26,31)

InChI Key

IKYCSVZDDQVCRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.266

Distribution Coefficient, logD

-1.231

Water Solubility, LogSw

-2.22

Polar Surface Area

72.080

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

C066-2085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Lipid Metabolism Library (9174 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:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C066-2085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2085?
Check Price and Availability of C066-2085, 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 C066-2085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2085
  • 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 C066-2085 available by request