C168-0273 Screening compound: 2-ethyl-6,7-dimethoxy-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide

C168-0273 Screening compound: 2-ethyl-6,7-dimethoxy-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide
C168-0273 Screening compound: 2-ethyl-6,7-dimethoxy-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0273
2-ethyl-6,7-dimethoxy-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-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

C168-0273

Molecular Formula

C24H28N2O4 (C24 H28 N2 O4)

Compound Name

2-ethyl-6,7-dimethoxy-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

2-ethyl-67-dimethoxy-N-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(C=C(C(N(C)c1ccc(C(C)C)cc1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C24H28N2O4/c1-7-26-14-20(18-12-21(29-5)22(30-6)13-19(18)24(26)28)23(27)25(4)17-10-8-16(9-11-17)15(2)3/h8-15H,7H2,1-6H3

InChI Key

IGLAHLDADDMLDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.700

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-3.90

Polar Surface Area

46.826

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C168-0273 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C168-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0273?
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What is the minimum amount of C168-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0273
  • 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 C168-0273 available by request