C197-0202 Screening compound: 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-(3,4,5-trimethoxyphenyl)propanamide

C197-0202 Screening compound: 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-(3,4,5-trimethoxyphenyl)propanamide
C197-0202 Screening compound: 3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0202
3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-(3,4,5-trimethoxyphenyl)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

C197-0202

Molecular Formula

C23H25N3O6 (C23 H25 N3 O6)

Compound Name

3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]-N-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

3-[2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamido]-N-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(NC(CCNC(CN(C=Cc2c3cccc2)C3=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C23H25N3O6/c1-30-18-12-16(13-19(31-2)22(18)32-3)25-20(27)8-10-24-21(28)14-26-11-9-15-6-4-5-7-17(15)23(26)29/h4-7,9,11-13H,8,10,14H2,1-3H3,(H,24,28)(H,25,27)

InChI Key

SWBJGVOQZSKIBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.652

Distribution Coefficient, logD

0.651

Water Solubility, LogSw

-2.48

Polar Surface Area

86.121

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C197-0202 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C197-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0202?
Check Price and Availability of C197-0202, 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 C197-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0202
  • 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 C197-0202 available by request