E717-0561 Screening compound: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

E717-0561 Screening compound: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
E717-0561 Screening compound: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0561
N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

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

E717-0561

Molecular Formula

C25H23N5O5 (C25 H23 N5 O5)

Compound Name

N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

IUPAC name

N-[3-(34-diethoxyphenyl)-12-oxazol-5-yl]-2-{4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetamide

SMILES

CCOc(ccc(-c1noc(NC(CN(C2=O)N=Cc3c2[nH]c2c3cccc2)=O)c1)c1)c1OCC

InChI

InChI=1S/C25H23N5O5/c1-3-33-20-10-9-15(11-21(20)34-4-2)19-12-23(35-29-19)28-22(31)14-30-25(32)24-17(13-26-30)16-7-5-6-8-18(16)27-24/h5-13,27H,3-4,14H2,1-2H3,(H,28,31)

InChI Key

FEWKKRPUFCVLOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.28

Polar Surface Area

98.291

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E717-0561 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with E717-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0561?
Check Price and Availability of E717-0561, 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 E717-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0561
  • 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 E717-0561 available by request