L678-0426 Screening compound: 2-isopentyl-N-(3-methoxybenzyl)-3-methyl-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

L678-0426 Screening compound: 2-isopentyl-N-(3-methoxybenzyl)-3-methyl-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
L678-0426 Screening compound: 2-isopentyl-N-(3-methoxybenzyl)-3-methyl-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L678-0426
2-isopentyl-N-(3-methoxybenzyl)-3-methyl-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

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

L678-0426

Molecular Formula

C24H30N2O3 (C24 H30 N2 O3)

Compound Name

2-isopentyl-N-(3-methoxybenzyl)-3-methyl-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

IUPAC name

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

SMILES

CC(C)CCN(C(C)(Cc1c2cccc1)C(NCc1cc(OC)ccc1)=O)C2=O

InChI

InChI=1S/C24H30N2O3/c1-17(2)12-13-26-22(27)21-11-6-5-9-19(21)15-24(26,3)23(28)25-16-18-8-7-10-20(14-18)29-4/h5-11,14,17H,12-13,15-16H2,1-4H3,(H,25,28)/t24-/m0/s1

InChI Key

FFLCZFWNEGQNFH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27468924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-4.43

Polar Surface Area

48.140

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

L678-0426 in Drug Discovery

Included in Screening Libraries

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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L678-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L678-0426?
Check Price and Availability of L678-0426, 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 L678-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L678-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L678-0426
  • 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 L678-0426 available by request