6434-3691 Screening compound: 2-(3-METHYLPHENOXY)-1-{4-[4-(4-METHYLPHENYL)PHTHALAZIN-1-YL]PIPERAZIN-1-YL}ETHAN-1-ONE

6434-3691 Screening compound: 2-(3-METHYLPHENOXY)-1-{4-[4-(4-METHYLPHENYL)PHTHALAZIN-1-YL]PIPERAZIN-1-YL}ETHAN-1-ONE
6434-3691 Screening compound: 2-(3-METHYLPHENOXY)-1-{4-[4-(4-METHYLPHENYL)PHTHALAZIN-1-YL]PIPERAZIN-1-YL}ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6434-3691
2-(3-METHYLPHENOXY)-1-{4-[4-(4-METHYLPHENYL)PHTHALAZIN-1-YL]PIPERAZIN-1-YL}ETHAN-1-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

6434-3691

Molecular Formula

C28H28N4O2 (C28 H28 N4 O2)

Compound Name

2-(3-METHYLPHENOXY)-1-{4-[4-(4-METHYLPHENYL)PHTHALAZIN-1-YL]PIPERAZIN-1-YL}ETHAN-1-ONE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1-c(c1ccccc11)nnc1N(CC1)CCN1C(COc1cc(C)ccc1)=O

InChI

InChI=1S/C28H28N4O2/c1-20-10-12-22(13-11-20)27-24-8-3-4-9-25(24)28(30-29-27)32-16-14-31(15-17-32)26(33)19-34-23-7-5-6-21(2)18-23/h3-13,18H,14-17,19H2,1-2H3

InChI Key

YWXDXRZEBCJRBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04191441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.974

Distribution Coefficient, logD

4.973

Water Solubility, LogSw

-4.98

Polar Surface Area

49.022

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6434-3691 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6434-3691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6434-3691?
Check Price and Availability of 6434-3691, 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 6434-3691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6434-3691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6434-3691
  • 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 6434-3691 available by request