L120-1114 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

L120-1114 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
L120-1114 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L120-1114
N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-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

L120-1114

Molecular Formula

C28H30N2O5 (C28 H30 N2 O5)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-66-dimethyl-2-(4-methylphenyl)-38-dioxo-235678-hexahydroisoquinoline-4-carboxamide

SMILES

CC(C)(CC(C1=CN2c3ccc(C)cc3)=C(C(NCc(cc(cc3)OC)c3OC)=O)C2=O)CC1=O

InChI

InChI=1S/C28H30N2O5/c1-17-6-8-19(9-7-17)30-16-22-21(13-28(2,3)14-23(22)31)25(27(30)33)26(32)29-15-18-12-20(34-4)10-11-24(18)35-5/h6-12,16H,13-15H2,1-5H3,(H,29,32)

InChI Key

QDJFEHSCUGXWTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.580

Water Solubility, LogSw

-3.72

Polar Surface Area

68.782

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with L120-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L120-1114?
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What is the minimum amount of L120-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L120-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L120-1114
  • 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 L120-1114 available by request