0180-0328 Screening compound: 2-[(3,4-dihydroisoquinolin-1-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

0180-0328 Screening compound: 2-[(3,4-dihydroisoquinolin-1-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
0180-0328 Screening compound: 2-[(3,4-dihydroisoquinolin-1-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0328
2-[(3,4-dihydroisoquinolin-1-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

0180-0328

Molecular Formula

C18H14N2O2 (C18 H14 N2 O2)

Compound Name

2-[(3,4-dihydroisoquinolin-1-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[(34-dihydroisoquinolin-1-yl)methyl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c1c2cccc1)N(CC1=NCCc3c1cccc3)C2=O

InChI

InChI=1S/C18H14N2O2/c21-17-14-7-3-4-8-15(14)18(22)20(17)11-16-13-6-2-1-5-12(13)9-10-19-16/h1-8H,9-11H2

InChI Key

VORHKXJENRYGEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-3.31

Polar Surface Area

37.648

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0180-0328 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 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
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0180-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0328?
Check Price and Availability of 0180-0328, 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 0180-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0328
  • 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 0180-0328 available by request