L120-0864 Screening compound: N-(2,5-dimethylphenyl)-2-(4-fluorophenyl)-N,6,6-trimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

L120-0864 Screening compound: N-(2,5-dimethylphenyl)-2-(4-fluorophenyl)-N,6,6-trimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
L120-0864 Screening compound: N-(2,5-dimethylphenyl)-2-(4-fluorophenyl)-N,6,6-trimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L120-0864
N-(2,5-dimethylphenyl)-2-(4-fluorophenyl)-N,6,6-trimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-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

L120-0864

Molecular Formula

C27H27FN2O3 (C27 H27 FN2 O3)

Compound Name

N-(2,5-dimethylphenyl)-2-(4-fluorophenyl)-N,6,6-trimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

IUPAC name

N-(25-dimethylphenyl)-2-(4-fluorophenyl)-N66-trimethyl-38-dioxo-235678-hexahydroisoquinoline-4-carboxamide

SMILES

CC(C)(CC(C1=CN2c(cc3)ccc3F)=C(C(N(C)c3c(C)ccc(C)c3)=O)C2=O)CC1=O

InChI

InChI=1S/C27H27FN2O3/c1-16-6-7-17(2)22(12-16)29(5)25(32)24-20-13-27(3,4)14-23(31)21(20)15-30(26(24)33)19-10-8-18(28)9-11-19/h6-12,15H,13-14H2,1-5H3

InChI Key

WOLKSVZCNQYYFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.38

Polar Surface Area

44.263

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L120-0864 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L120-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L120-0864?
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What is the minimum amount of L120-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L120-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L120-0864
  • 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 L120-0864 available by request