C289-0106 Screening compound: 10,11-diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C289-0106 Screening compound: 10,11-diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C289-0106 Screening compound: 10,11-diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0106
10,11-diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-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

C289-0106

Molecular Formula

C34H41N3O4 (C34 H41 N3 O4)

Compound Name

10,11-diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

1011-diethoxy-N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

CCN(CCCNC(C(C1N2CCc(cc3OCC)c1cc3OCC)c(cccc1)c1C2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C34H41N3O4/c1-5-36(25-13-10-12-23(4)20-25)18-11-17-35-33(38)31-26-14-8-9-15-27(26)34(39)37-19-16-24-21-29(40-6-2)30(41-7-3)22-28(24)32(31)37/h8-10,12-15,20-22,31-32H,5-7,11,16-19H2,1-4H3,(H,35,38)

InChI Key

VAJIFSKEBINSTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.14

Polar Surface Area

57.611

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

C289-0106 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 C289-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0106?
Check Price and Availability of C289-0106, 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 C289-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0106
  • 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 C289-0106 available by request