L678-0199 Screening compound: 3-methyl-2-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

L678-0199 Screening compound: 3-methyl-2-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
L678-0199 Screening compound: 3-methyl-2-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L678-0199
3-methyl-2-(3-methylbutyl)-N-[(2-methylphenyl)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

L678-0199

Molecular Formula

C24H30N2O2 (C24 H30 N2 O2)

Compound Name

3-methyl-2-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

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

SMILES

CC(C)CCN(C(C)(Cc1c2cccc1)C(NCc1c(C)cccc1)=O)C2=O

InChI

InChI=1S/C24H30N2O2/c1-17(2)13-14-26-22(27)21-12-8-7-10-19(21)15-24(26,4)23(28)25-16-20-11-6-5-9-18(20)3/h5-12,17H,13-16H2,1-4H3,(H,25,28)/t24-/m0/s1

InChI Key

HKMPNJRHOCAACE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27468773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.42

Polar Surface Area

40.596

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

L678-0199 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 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

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with L678-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L678-0199?
Check Price and Availability of L678-0199, 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 L678-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L678-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L678-0199
  • 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 L678-0199 available by request