C197-0318 Screening compound: N-(4-ethoxyphenyl)-N-ethyl-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide

C197-0318 Screening compound: N-(4-ethoxyphenyl)-N-ethyl-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide
C197-0318 Screening compound: N-(4-ethoxyphenyl)-N-ethyl-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0318
N-(4-ethoxyphenyl)-N-ethyl-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide

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

C197-0318

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

N-(4-ethoxyphenyl)-N-ethyl-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide

IUPAC name

N-(4-ethoxyphenyl)-N-ethyl-3-[2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamido]propanamide

SMILES

CCN(C(CCNC(CN(C=Cc1c2cccc1)C2=O)=O)=O)c(cc1)ccc1OCC

InChI

InChI=1S/C24H27N3O4/c1-3-27(19-9-11-20(12-10-19)31-4-2)23(29)13-15-25-22(28)17-26-16-14-18-7-5-6-8-21(18)24(26)30/h5-12,14,16H,3-4,13,15,17H2,1-2H3,(H,25,28)

InChI Key

XLUYJEPMHQQMDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.93

Polar Surface Area

62.209

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C197-0318 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C197-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0318?
Check Price and Availability of C197-0318, 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 C197-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0318
  • 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 C197-0318 available by request