L678-0363 Screening compound: methyl 3-[3-[(benzylamino)carbonyl]-3-methyl-1-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoate

L678-0363 Screening compound: methyl 3-[3-[(benzylamino)carbonyl]-3-methyl-1-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoate
L678-0363 Screening compound: methyl 3-[3-[(benzylamino)carbonyl]-3-methyl-1-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L678-0363
methyl 3-[3-[(benzylamino)carbonyl]-3-methyl-1-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoate

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

L678-0363

Molecular Formula

C26H24N2O4 (C26 H24 N2 O4)

Compound Name

methyl 3-[3-[(benzylamino)carbonyl]-3-methyl-1-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoate

IUPAC name

methyl 3-[3-(benzylcarbamoyl)-3-methyl-1-oxo-1234-tetrahydroisoquinolin-2-yl]benzoate

SMILES

CC(Cc1c2cccc1)(C(NCc1ccccc1)=O)N(c1cc(C(OC)=O)ccc1)C2=O

InChI

InChI=1S/C26H24N2O4/c1-26(25(31)27-17-18-9-4-3-5-10-18)16-20-11-6-7-14-22(20)23(29)28(26)21-13-8-12-19(15-21)24(30)32-2/h3-15H,16-17H2,1-2H3,(H,27,31)/t26-/m0/s1

InChI Key

IOKDHKURTCXAJO-SANMLTNESA-N

MDL Number (MFCD)

MFCD27468880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.42

Polar Surface Area

60.909

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

L678-0363 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L678-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L678-0363?
Check Price and Availability of L678-0363, 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 L678-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L678-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L678-0363
  • 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 L678-0363 available by request