C197-0237 Screening compound: N-(3-methoxypropyl)-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide

C197-0237 Screening compound: N-(3-methoxypropyl)-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide
C197-0237 Screening compound: N-(3-methoxypropyl)-3-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0237
N-(3-methoxypropyl)-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

C197-0237

Molecular Formula

C18H23N3O4 (C18 H23 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COCCCNC(CCNC(CN(C=Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C18H23N3O4/c1-25-12-4-9-19-16(22)7-10-20-17(23)13-21-11-8-14-5-2-3-6-15(14)18(21)24/h2-3,5-6,8,11H,4,7,9-10,12-13H2,1H3,(H,19,22)(H,20,23)

InChI Key

ZPKVFKZABLORDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.495

Distribution Coefficient, logD

-0.495

Water Solubility, LogSw

-2.13

Polar Surface Area

72.921

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C197-0237 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C197-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0237?
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What is the minimum amount of C197-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0237
  • 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 C197-0237 available by request