C154-0222 Screening compound: ethyl 2-{[(6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]amino}acetate

C154-0222 Screening compound: ethyl 2-{[(6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]amino}acetate
C154-0222 Screening compound: ethyl 2-{[(6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C154-0222
ethyl 2-{[(6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]amino}acetate

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

C154-0222

Molecular Formula

C17H20N2O6 (C17 H20 N2 O6)

Compound Name

ethyl 2-{[(6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]amino}acetate

IUPAC name

ethyl 2-[(67-dimethoxy-2-methyl-1-oxo-12-dihydroisoquinolin-4-yl)formamido]acetate

SMILES

CCOC(CNC(C(c(cc1OC)c2cc1OC)=CN(C)C2=O)=O)=O

InChI

InChI=1S/C17H20N2O6/c1-5-25-15(20)8-18-16(21)12-9-19(2)17(22)11-7-14(24-4)13(23-3)6-10(11)12/h6-7,9H,5,8H2,1-4H3,(H,18,21)

InChI Key

FPUCYBPHOHZBAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.589

Distribution Coefficient, logD

0.589

Water Solubility, LogSw

-1.83

Polar Surface Area

76.291

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

C154-0222 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C154-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C154-0222?
Check Price and Availability of C154-0222, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C154-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C154-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C154-0222
  • 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 C154-0222 available by request