E717-0579 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

E717-0579 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
E717-0579 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0579
2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]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

E717-0579

Molecular Formula

C25H28N6O2 (C25 H28 N6 O2)

Compound Name

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

IUPAC name

2-{4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

SMILES

O=C(CN(C1=O)N=Cc2c1[nH]c1c2cccc1)NCCCN(CC1)CCN1c1ccccc1

InChI

InChI=1S/C25H28N6O2/c32-23(18-31-25(33)24-21(17-27-31)20-9-4-5-10-22(20)28-24)26-11-6-12-29-13-15-30(16-14-29)19-7-2-1-3-8-19/h1-5,7-10,17,28H,6,11-16,18H2,(H,26,32)

InChI Key

DPHFWGZOSYIUAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.602

Distribution Coefficient, logD

1.016

Water Solubility, LogSw

-2.58

Polar Surface Area

69.996

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E717-0579 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E717-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0579?
Check Price and Availability of E717-0579, 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 E717-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0579
  • 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 E717-0579 available by request