C066-5394 Screening compound: ethyl 10-oxo-10H-5,11-diazatetraphene-13-carboxylate

C066-5394 Screening compound: ethyl 10-oxo-10H-5,11-diazatetraphene-13-carboxylate
C066-5394 Screening compound: ethyl 10-oxo-10H-5,11-diazatetraphene-13-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5394
ethyl 10-oxo-10H-5,11-diazatetraphene-13-carboxylate

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

C066-5394

Molecular Formula

C19H14N2O3 (C19 H14 N2 O3)

Compound Name

ethyl 10-oxo-10H-5,11-diazatetraphene-13-carboxylate

IUPAC name

ethyl 10-oxo-10H-511-diazatetraphene-13-carboxylate

SMILES

CCOC(C(c(cccc1)c1C1=Nc2c3cccc2)=CN1C3=O)=O

InChI

InChI=1S/C19H14N2O3/c1-2-24-19(23)15-11-21-17(13-8-4-3-7-12(13)15)20-16-10-6-5-9-14(16)18(21)22/h3-11H,2H2,1H3

InChI Key

XHHQDWKPHKKSPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.013

Distribution Coefficient, logD

2.012

Water Solubility, LogSw

-2.49

Polar Surface Area

45.506

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C066-5394 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-5394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5394?
Check Price and Availability of C066-5394, 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 C066-5394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5394
  • 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 C066-5394 available by request