C033-0460 Screening compound: 2-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C033-0460 Screening compound: 2-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C033-0460 Screening compound: 2-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C033-0460
2-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-oxo-1,2-dihydroisoquinoline-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

C033-0460

Molecular Formula

C30H30N4O5 (C30 H30 N4 O5)

Compound Name

2-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

2-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

COc(cccc1)c1N(CC1)CCN1C(CNC(C(c1c2cccc1)=CN(c(cccc1)c1OC)C2=O)=O)=O

InChI

InChI=1S/C30H30N4O5/c1-38-26-13-7-5-11-24(26)32-15-17-33(18-16-32)28(35)19-31-29(36)23-20-34(25-12-6-8-14-27(25)39-2)30(37)22-10-4-3-9-21(22)23/h3-14,20H,15-19H2,1-2H3,(H,31,36)

InChI Key

QLMDKDLXVMOWRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-3.06

Polar Surface Area

74.480

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C033-0460 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C033-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C033-0460?
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What is the minimum amount of C033-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C033-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C033-0460
  • 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 C033-0460 available by request