C197-0263 Screening compound: N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

C197-0263 Screening compound: N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide
C197-0263 Screening compound: N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0263
N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

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

C197-0263

Molecular Formula

C26H28N4O5 (C26 H28 N4 O5)

Compound Name

N-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

IUPAC name

N-(3-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamide

SMILES

O=C(CN(C=Cc1c2cccc1)C2=O)NCCC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C26H28N4O5/c31-24(17-30-10-8-20-3-1-2-4-21(20)26(30)33)27-9-7-25(32)29-13-11-28(12-14-29)16-19-5-6-22-23(15-19)35-18-34-22/h1-6,8,10,15H,7,9,11-14,16-18H2,(H,27,31)

InChI Key

YUPYBGWUVBWDRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.637

Distribution Coefficient, logD

0.293

Water Solubility, LogSw

-2.33

Polar Surface Area

77.043

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C197-0263 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C197-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0263?
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What is the minimum amount of C197-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0263
  • 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 C197-0263 available by request