L678-0381 Screening compound: N-benzyl-2-[(4-butoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

L678-0381 Screening compound: N-benzyl-2-[(4-butoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
L678-0381 Screening compound: N-benzyl-2-[(4-butoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L678-0381
N-benzyl-2-[(4-butoxyphenyl)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

L678-0381

Molecular Formula

C29H32N2O3 (C29 H32 N2 O3)

Compound Name

N-benzyl-2-[(4-butoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

N-benzyl-2-[(4-butoxyphenyl)methyl]-3-methyl-1-oxo-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CCCCOc1ccc(CN(C(C)(Cc2c3cccc2)C(NCc2ccccc2)=O)C3=O)cc1

InChI

InChI=1S/C29H32N2O3/c1-3-4-18-34-25-16-14-23(15-17-25)21-31-27(32)26-13-9-8-12-24(26)19-29(31,2)28(33)30-20-22-10-6-5-7-11-22/h5-17H,3-4,18-21H2,1-2H3,(H,30,33)/t29-/m0/s1

InChI Key

UOMALYAJZRQPGQ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD27468894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.035

Distribution Coefficient, logD

6.035

Water Solubility, LogSw

-5.48

Polar Surface Area

47.764

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

L678-0381 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)

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 L678-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L678-0381?
Check Price and Availability of L678-0381, 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 L678-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L678-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L678-0381
  • 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 L678-0381 available by request