C066-2067 Screening compound: 3-[2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDO]-N-(4-PHENYLBUTAN-2-YL)PROPANAMIDE

C066-2067 Screening compound: 3-[2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDO]-N-(4-PHENYLBUTAN-2-YL)PROPANAMIDE
C066-2067 Screening compound: 3-[2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDO]-N-(4-PHENYLBUTAN-2-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2067
3-[2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDO]-N-(4-PHENYLBUTAN-2-YL)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

C066-2067

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

3-[2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDO]-N-(4-PHENYLBUTAN-2-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

CC(CCc1ccccc1)NC(CCNC(CN(C=Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C24H27N3O3/c1-18(11-12-19-7-3-2-4-8-19)26-22(28)13-15-25-23(29)17-27-16-14-20-9-5-6-10-21(20)24(27)30/h2-10,14,16,18H,11-13,15,17H2,1H3,(H,25,29)(H,26,28)/t18-/m0/s1

InChI Key

IVKWXTFSSPEXJU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14715166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-3.05

Polar Surface Area

63.907

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C066-2067 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 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
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-2067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2067?
Check Price and Availability of C066-2067, 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 C066-2067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2067
  • 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 C066-2067 available by request