C289-0118 Screening compound: 10,11-diethoxy-5-oxo-N-[3-(pyrrolidin-1-yl)propyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C289-0118 Screening compound: 10,11-diethoxy-5-oxo-N-[3-(pyrrolidin-1-yl)propyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C289-0118 Screening compound: 10,11-diethoxy-5-oxo-N-[3-(pyrrolidin-1-yl)propyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0118
10,11-diethoxy-5-oxo-N-[3-(pyrrolidin-1-yl)propyl]-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

C289-0118

Molecular Formula

C29H37N3O4 (C29 H37 N3 O4)

Compound Name

10,11-diethoxy-5-oxo-N-[3-(pyrrolidin-1-yl)propyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

1011-diethoxy-5-oxo-N-[3-(pyrrolidin-1-yl)propyl]-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

CCOc1cc(CCN(C2C(C(NCCCN3CCCC3)=O)c3c4cccc3)C4=O)c2cc1OCC

InChI

InChI=1S/C29H37N3O4/c1-3-35-24-18-20-12-17-32-27(23(20)19-25(24)36-4-2)26(21-10-5-6-11-22(21)29(32)34)28(33)30-13-9-16-31-14-7-8-15-31/h5-6,10-11,18-19,26-27H,3-4,7-9,12-17H2,1-2H3,(H,30,33)

InChI Key

LLDZXWVRJIELMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.148

Distribution Coefficient, logD

-0.943

Water Solubility, LogSw

-2.96

Polar Surface Area

58.970

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.70

C289-0118 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 C289-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0118?
Check Price and Availability of C289-0118, 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 C289-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0118
  • 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 C289-0118 available by request