L867-0454 Screening compound: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

L867-0454 Screening compound: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
L867-0454 Screening compound: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L867-0454
[4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

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

L867-0454

Molecular Formula

C29H26N2O5 (C29 H26 N2 O5)

Compound Name

[4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

[4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-ethoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxylate

SMILES

CCOc(cc1)ccc1N(C=C(C(OCc(cc1)ccc1N(CCC1)C1=O)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C29H26N2O5/c1-2-35-23-15-13-22(14-16-23)31-18-26(24-6-3-4-7-25(24)28(31)33)29(34)36-19-20-9-11-21(12-10-20)30-17-5-8-27(30)32/h3-4,6-7,9-16,18H,2,5,8,17,19H2,1H3

InChI Key

GECSVLPEMVXXGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-4.04

Polar Surface Area

60.552

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with L867-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L867-0454?
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What is the minimum amount of L867-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L867-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L867-0454
  • 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 L867-0454 available by request