C358-0090 Screening compound: 13-[(4-ETHYLPIPERAZINO)CARBONYL]-10,11-DIMETHOXY-5,6,13,13A-TETRAHYDRO-8H-ISOQUINO[3,2-A]ISOQUINOLIN-8-ONE

C358-0090 Screening compound: 13-[(4-ETHYLPIPERAZINO)CARBONYL]-10,11-DIMETHOXY-5,6,13,13A-TETRAHYDRO-8H-ISOQUINO[3,2-A]ISOQUINOLIN-8-ONE
C358-0090 Screening compound: 13-[(4-ETHYLPIPERAZINO)CARBONYL]-10,11-DIMETHOXY-5,6,13,13A-TETRAHYDRO-8H-ISOQUINO[3,2-A]ISOQUINOLIN-8-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C358-0090
13-[(4-ETHYLPIPERAZINO)CARBONYL]-10,11-DIMETHOXY-5,6,13,13A-TETRAHYDRO-8H-ISOQUINO[3,2-A]ISOQUINOLIN-8-ONE

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

C358-0090

Molecular Formula

C26H31N3O4 (C26 H31 N3 O4)

Compound Name

13-[(4-ETHYLPIPERAZINO)CARBONYL]-10,11-DIMETHOXY-5,6,13,13A-TETRAHYDRO-8H-ISOQUINO[3,2-A]ISOQUINOLIN-8-ONE

IUPAC name

n/a

SMILES

CCN(CC1)CCN1C(C(C1N2CCc3c1cccc3)c(cc(c(OC)c1)OC)c1C2=O)=O

InChI

InChI=1S/C26H31N3O4/c1-4-27-11-13-28(14-12-27)26(31)23-19-15-21(32-2)22(33-3)16-20(19)25(30)29-10-9-17-7-5-6-8-18(17)24(23)29/h5-8,15-16,23-24H,4,9-14H2,1-3H3

InChI Key

XCRDAZGCMFSDHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.318

Distribution Coefficient, logD

1.910

Water Solubility, LogSw

-2.81

Polar Surface Area

51.392

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.00

C358-0090 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C358-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C358-0090?
Check Price and Availability of C358-0090, 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 C358-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C358-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C358-0090
  • 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 C358-0090 available by request