C289-0072 Screening compound: 1-[(2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-13-yl)carbonyl]-4-piperidinecarboxamide

C289-0072 Screening compound: 1-[(2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-13-yl)carbonyl]-4-piperidinecarboxamide
C289-0072 Screening compound: 1-[(2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-13-yl)carbonyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0072
1-[(2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-13-yl)carbonyl]-4-piperidinecarboxamide

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

C289-0072

Molecular Formula

C28H33N3O5 (C28 H33 N3 O5)

Compound Name

1-[(2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-13-yl)carbonyl]-4-piperidinecarboxamide

IUPAC name

1-(1011-diethoxy-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carbonyl)piperidine-4-carboxamide

SMILES

CCOc1cc(CCN(C2C(C(N(CC3)CCC3C(N)=O)=O)c3c4cccc3)C4=O)c2cc1OCC

InChI

InChI=1S/C28H33N3O5/c1-3-35-22-15-18-11-14-31-25(21(18)16-23(22)36-4-2)24(19-7-5-6-8-20(19)27(31)33)28(34)30-12-9-17(10-13-30)26(29)32/h5-8,15-17,24-25H,3-4,9-14H2,1-2H3,(H2,29,32)

InChI Key

JCXWCTAQGQCRAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.236

Distribution Coefficient, logD

1.236

Water Solubility, LogSw

-2.32

Polar Surface Area

81.074

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.43

C289-0072 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C289-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0072?
Check Price and Availability of C289-0072, 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 C289-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0072
  • 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 C289-0072 available by request