L678-0322 Screening compound: 2-[(3-ethoxyphenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

L678-0322 Screening compound: 2-[(3-ethoxyphenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
L678-0322 Screening compound: 2-[(3-ethoxyphenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L678-0322
2-[(3-ethoxyphenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

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

L678-0322

Molecular Formula

C28H30N2O4 (C28 H30 N2 O4)

Compound Name

2-[(3-ethoxyphenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

2-[(3-ethoxyphenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CCOc1cccc(CN(C(C)(Cc2c3cccc2)C(NCc(cccc2)c2OC)=O)C3=O)c1

InChI

InChI=1S/C28H30N2O4/c1-4-34-23-13-9-10-20(16-23)19-30-26(31)24-14-7-5-11-21(24)17-28(30,2)27(32)29-18-22-12-6-8-15-25(22)33-3/h5-16H,4,17-19H2,1-3H3,(H,29,32)/t28-/m0/s1

InChI Key

HBNVTFMSZPPADN-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD27468851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.17

Polar Surface Area

55.100

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

L678-0322 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L678-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L678-0322?
Check Price and Availability of L678-0322, 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 L678-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L678-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L678-0322
  • 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 L678-0322 available by request