C197-0249 Screening compound: N-(4-ETHOXYPHENYL)-3-[2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDO]PROPANAMIDE

C197-0249 Screening compound: N-(4-ETHOXYPHENYL)-3-[2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDO]PROPANAMIDE
C197-0249 Screening compound: N-(4-ETHOXYPHENYL)-3-[2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDO]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0249
N-(4-ETHOXYPHENYL)-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

C197-0249

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

N-(4-ETHOXYPHENYL)-3-[2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDO]PROPANAMIDE

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1NC(CCNC(CN(C=Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C22H23N3O4/c1-2-29-18-9-7-17(8-10-18)24-20(26)11-13-23-21(27)15-25-14-12-16-5-3-4-6-19(16)22(25)28/h3-10,12,14H,2,11,13,15H2,1H3,(H,23,27)(H,24,26)

InChI Key

UCFQUSMOQDDXNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.640

Distribution Coefficient, logD

1.640

Water Solubility, LogSw

-2.56

Polar Surface Area

70.267

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

C197-0249 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C197-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0249?
Check Price and Availability of C197-0249, 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 C197-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0249
  • 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 C197-0249 available by request