C066-2422 Screening compound: 10,11-dimethoxy-N-(3-morpholinopropyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-13-carboxamide

C066-2422 Screening compound: 10,11-dimethoxy-N-(3-morpholinopropyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-13-carboxamide
C066-2422 Screening compound: 10,11-dimethoxy-N-(3-morpholinopropyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2422
10,11-dimethoxy-N-(3-morpholinopropyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-13-carboxamide

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

C066-2422

Molecular Formula

C27H33N3O5 (C27 H33 N3 O5)

Compound Name

10,11-dimethoxy-N-(3-morpholinopropyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-13-carboxamide

IUPAC name

23-dimethoxy-N-[3-(morpholin-4-yl)propyl]-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

COc(c(OC)c1)cc(C(C2N3CCc4c2cccc4)C(NCCCN2CCOCC2)=O)c1C3=O

InChI

InChI=1S/C27H33N3O5/c1-33-22-16-20-21(17-23(22)34-2)27(32)30-11-8-18-6-3-4-7-19(18)25(30)24(20)26(31)28-9-5-10-29-12-14-35-15-13-29/h3-4,6-7,16-17,24-25H,5,8-15H2,1-2H3,(H,28,31)

InChI Key

HUBCZXJZXXWVEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.704

Distribution Coefficient, logD

1.281

Water Solubility, LogSw

-2.41

Polar Surface Area

67.353

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.15

C066-2422 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-2422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2422?
Check Price and Availability of C066-2422, 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 C066-2422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2422
  • 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 C066-2422 available by request