C168-0149 Screening compound: N-(3-chlorophenyl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C168-0149 Screening compound: N-(3-chlorophenyl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C168-0149 Screening compound: N-(3-chlorophenyl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0149
N-(3-chlorophenyl)-2-ethyl-6,7-dimethoxy-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

C168-0149

Molecular Formula

C20H19ClN2O4 (C20 H19 ClN2 O4)

Compound Name

N-(3-chlorophenyl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-(3-chlorophenyl)-2-ethyl-67-dimethoxy-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(C=C(C(Nc1cccc(Cl)c1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C20H19ClN2O4/c1-4-23-11-16(19(24)22-13-7-5-6-12(21)8-13)14-9-17(26-2)18(27-3)10-15(14)20(23)25/h5-11H,4H2,1-3H3,(H,22,24)

InChI Key

GKBLTPOHZLAVKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.530

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.81

Polar Surface Area

54.549

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C168-0149 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C168-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0149?
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What is the minimum amount of C168-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0149
  • 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 C168-0149 available by request