C197-0195 Screening compound: N-(3,4-dimethoxyphenyl)-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide

C197-0195 Screening compound: N-(3,4-dimethoxyphenyl)-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide
C197-0195 Screening compound: N-(3,4-dimethoxyphenyl)-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0195
N-(3,4-dimethoxyphenyl)-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

C197-0195

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-3-[2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamido]propanamide

SMILES

COc(ccc(NC(CCNC(CN(C=Cc1c2cccc1)C2=O)=O)=O)c1)c1OC

InChI

InChI=1S/C22H23N3O5/c1-29-18-8-7-16(13-19(18)30-2)24-20(26)9-11-23-21(27)14-25-12-10-15-5-3-4-6-17(15)22(25)28/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,27)(H,24,26)

InChI Key

SDKYFTBAOOUKDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.806

Distribution Coefficient, logD

0.806

Water Solubility, LogSw

-2.44

Polar Surface Area

78.404

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C197-0195 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C197-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0195?
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What is the minimum amount of C197-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0195
  • 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 C197-0195 available by request