L793-4796 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[1-(3,4-dimethylbenzyl)-1H-pyrrol-2-yl]-1,2-ethanedione

L793-4796 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[1-(3,4-dimethylbenzyl)-1H-pyrrol-2-yl]-1,2-ethanedione
L793-4796 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[1-(3,4-dimethylbenzyl)-1H-pyrrol-2-yl]-1,2-ethanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound L793-4796
1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[1-(3,4-dimethylbenzyl)-1H-pyrrol-2-yl]-1,2-ethanedione

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

L793-4796

Molecular Formula

C24H24N2O2 (C24 H24 N2 O2)

Compound Name

1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[1-(3,4-dimethylbenzyl)-1H-pyrrol-2-yl]-1,2-ethanedione

IUPAC name

1-{1-[(34-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-2-(1234-tetrahydroisoquinolin-2-yl)ethane-12-dione

SMILES

Cc1c(C)cc(Cn2c(C(C(N(CC3)Cc4c3cccc4)=O)=O)ccc2)cc1

InChI

InChI=1S/C24H24N2O2/c1-17-9-10-19(14-18(17)2)15-25-12-5-8-22(25)23(27)24(28)26-13-11-20-6-3-4-7-21(20)16-26/h3-10,12,14H,11,13,15-16H2,1-2H3

InChI Key

KPMDYJMAVVLZDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.959

Distribution Coefficient, logD

4.959

Water Solubility, LogSw

-4.58

Polar Surface Area

31.877

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L793-4796 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L793-4796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L793-4796?
Check Price and Availability of L793-4796, 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 L793-4796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L793-4796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L793-4796
  • 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 L793-4796 available by request