E717-0664 Screening compound: 3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one

E717-0664 Screening compound: 3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one
E717-0664 Screening compound: 3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0664
3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one

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

E717-0664

Molecular Formula

C21H20N6O2 (C21 H20 N6 O2)

Compound Name

3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

O=C(CN(C1=O)N=Cc2c1[nH]c1c2cccc1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H20N6O2/c28-19(26-11-9-25(10-12-26)18-7-3-4-8-22-18)14-27-21(29)20-16(13-23-27)15-5-1-2-6-17(15)24-20/h1-8,13,24H,9-12,14H2

InChI Key

HCKOKBNRZHWHIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.510

Distribution Coefficient, logD

1.501

Water Solubility, LogSw

-2.43

Polar Surface Area

66.604

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E717-0664 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E717-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0664?
Check Price and Availability of E717-0664, 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 E717-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0664
  • 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 E717-0664 available by request