E717-0562 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide

E717-0562 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
E717-0562 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0562
2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-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

E717-0562

Molecular Formula

C24H21N5O6 (C24 H21 N5 O6)

Compound Name

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

IUPAC name

2-{4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[3-(345-trimethoxyphenyl)-12-oxazol-5-yl]acetamide

SMILES

COc1cc(-c2noc(NC(CN(C3=O)N=Cc4c3[nH]c3c4cccc3)=O)c2)cc(OC)c1OC

InChI

InChI=1S/C24H21N5O6/c1-32-18-8-13(9-19(33-2)23(18)34-3)17-10-21(35-28-17)27-20(30)12-29-24(31)22-15(11-25-29)14-6-4-5-7-16(14)26-22/h4-11,26H,12H2,1-3H3,(H,27,30)

InChI Key

SNTYJIGIJWRUMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.386

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-3.21

Polar Surface Area

106.848

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E717-0562 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E717-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0562?
Check Price and Availability of E717-0562, 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 E717-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0562
  • 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 E717-0562 available by request