K781-1862 Screening compound: 2-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione

K781-1862 Screening compound: 2-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
K781-1862 Screening compound: 2-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1862
2-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-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

K781-1862

Molecular Formula

C20H18N2O3 (C20 H18 N2 O3)

Compound Name

2-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[3-oxo-3-(1234-tetrahydroisoquinolin-2-yl)propyl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(CCN(C(c1c2cccc1)=O)C2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C20H18N2O3/c23-18(21-11-9-14-5-1-2-6-15(14)13-21)10-12-22-19(24)16-7-3-4-8-17(16)20(22)25/h1-8H,9-13H2

InChI Key

GVCZLFNPSNDHHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.369

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-2.77

Polar Surface Area

45.524

Acid Dissociation Constant (pKa)

22.94

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K781-1862 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K781-1862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1862?
Check Price and Availability of K781-1862, 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 K781-1862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1862
  • 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 K781-1862 available by request