E717-0671 Screening compound: 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

E717-0671 Screening compound: 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
E717-0671 Screening compound: 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0671
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-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

E717-0671

Molecular Formula

C18H21N5O2 (C18 H21 N5 O2)

Compound Name

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CCN(CC1)CCN1C(CN(C1=O)N=Cc2c1[nH]c1c2cccc1)=O

InChI

InChI=1S/C18H21N5O2/c1-2-21-7-9-22(10-8-21)16(24)12-23-18(25)17-14(11-19-23)13-5-3-4-6-15(13)20-17/h3-6,11,20H,2,7-10,12H2,1H3

InChI Key

VTMYZNMQURTROL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.369

Distribution Coefficient, logD

0.193

Water Solubility, LogSw

-2.25

Polar Surface Area

58.370

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E717-0671 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E717-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0671?
Check Price and Availability of E717-0671, 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 E717-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0671
  • 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 E717-0671 available by request