L120-1326 Screening compound: N-[(2-ethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

L120-1326 Screening compound: N-[(2-ethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
L120-1326 Screening compound: N-[(2-ethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L120-1326
N-[(2-ethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-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

L120-1326

Molecular Formula

C27H28N2O4 (C27 H28 N2 O4)

Compound Name

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

IUPAC name

N-[(2-ethoxyphenyl)methyl]-66-dimethyl-38-dioxo-2-phenyl-235678-hexahydroisoquinoline-4-carboxamide

SMILES

CCOc1c(CNC(C2=C(CC(C)(C)CC3=O)C3=CN(c3ccccc3)C2=O)=O)cccc1

InChI

InChI=1S/C27H28N2O4/c1-4-33-23-13-9-8-10-18(23)16-28-25(31)24-20-14-27(2,3)15-22(30)21(20)17-29(26(24)32)19-11-6-5-7-12-19/h5-13,17H,4,14-16H2,1-3H3,(H,28,31)

InChI Key

SDOLCDPZLYITGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.59

Polar Surface Area

60.818

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

L120-1326 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L120-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L120-1326?
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What is the minimum amount of L120-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L120-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L120-1326
  • 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 L120-1326 available by request