L120-1313 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

L120-1313 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
L120-1313 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)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 L120-1313
N-[(2H-1,3-benzodioxol-5-yl)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

L120-1313

Molecular Formula

C26H24N2O5 (C26 H24 N2 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-66-dimethyl-38-dioxo-2-phenyl-235678-hexahydroisoquinoline-4-carboxamide

SMILES

CC(C)(CC(C1=CN2c3ccccc3)=C(C(NCc(cc3)cc4c3OCO4)=O)C2=O)CC1=O

InChI

InChI=1S/C26H24N2O5/c1-26(2)11-18-19(20(29)12-26)14-28(17-6-4-3-5-7-17)25(31)23(18)24(30)27-13-16-8-9-21-22(10-16)33-15-32-21/h3-10,14H,11-13,15H2,1-2H3,(H,27,30)

InChI Key

VRDZMZZIIOUZOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.750

Distribution Coefficient, logD

2.750

Water Solubility, LogSw

-3.29

Polar Surface Area

70.723

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L120-1313 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 L120-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L120-1313?
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What is the minimum amount of L120-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L120-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L120-1313
  • 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 L120-1313 available by request