C289-0032 Screening compound: N-cyclohexyl-10,11-diethoxy-N-methyl-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C289-0032 Screening compound: N-cyclohexyl-10,11-diethoxy-N-methyl-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C289-0032 Screening compound: N-cyclohexyl-10,11-diethoxy-N-methyl-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0032
N-cyclohexyl-10,11-diethoxy-N-methyl-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-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

C289-0032

Molecular Formula

C29H36N2O4 (C29 H36 N2 O4)

Compound Name

N-cyclohexyl-10,11-diethoxy-N-methyl-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

N-cyclohexyl-1011-diethoxy-N-methyl-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

CCOc1cc(CCN(C2C(C(N(C)C3CCCCC3)=O)c3c4cccc3)C4=O)c2cc1OCC

InChI

InChI=1S/C29H36N2O4/c1-4-34-24-17-19-15-16-31-27(23(19)18-25(24)35-5-2)26(21-13-9-10-14-22(21)28(31)32)29(33)30(3)20-11-7-6-8-12-20/h9-10,13-14,17-18,20,26-27H,4-8,11-12,15-16H2,1-3H3

InChI Key

VIILIKSQHCYQNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.68

Polar Surface Area

45.569

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.70

C289-0032 in Drug Discovery

Included in Screening Libraries

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

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 C289-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0032?
Check Price and Availability of C289-0032, 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 C289-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0032
  • 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 C289-0032 available by request