C289-0023 Screening compound: 10,11-diethoxy-N-(2-fluorophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C289-0023 Screening compound: 10,11-diethoxy-N-(2-fluorophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C289-0023 Screening compound: 10,11-diethoxy-N-(2-fluorophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0023
10,11-diethoxy-N-(2-fluorophenyl)-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

C289-0023

Molecular Formula

C28H27FN2O4 (C28 H27 FN2 O4)

Compound Name

10,11-diethoxy-N-(2-fluorophenyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

1011-diethoxy-N-(2-fluorophenyl)-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

CCOc1cc(CCN(C2C(C(Nc(cccc3)c3F)=O)c3c4cccc3)C4=O)c2cc1OCC

InChI

InChI=1S/C28H27FN2O4/c1-3-34-23-15-17-13-14-31-26(20(17)16-24(23)35-4-2)25(18-9-5-6-10-19(18)28(31)33)27(32)30-22-12-8-7-11-21(22)29/h5-12,15-16,25-26H,3-4,13-14H2,1-2H3,(H,30,32)

InChI Key

APRMTUQHWHWKIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.77

Polar Surface Area

52.760

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

C289-0023 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C289-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0023?
Check Price and Availability of C289-0023, 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 C289-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0023
  • 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 C289-0023 available by request