6216-0195 Screening compound: 1-(4-methylphenyl)-4-(2-piperidinoethoxy)phthalazine

6216-0195 Screening compound: 1-(4-methylphenyl)-4-(2-piperidinoethoxy)phthalazine
6216-0195 Screening compound: 1-(4-methylphenyl)-4-(2-piperidinoethoxy)phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6216-0195
1-(4-methylphenyl)-4-(2-piperidinoethoxy)phthalazine

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

6216-0195

Molecular Formula

C22H25N3O (C22 H25 N3 O)

Compound Name

1-(4-methylphenyl)-4-(2-piperidinoethoxy)phthalazine

IUPAC name

1-(4-methylphenyl)-4-[2-(piperidin-1-yl)ethoxy]phthalazine

SMILES

Cc(cc1)ccc1-c(c1ccccc11)nnc1OCCN1CCCCC1

InChI

InChI=1S/C22H25N3O/c1-17-9-11-18(12-10-17)21-19-7-3-4-8-20(19)22(24-23-21)26-16-15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3

InChI Key

JPCZNGMORKNXKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-4.19

Polar Surface Area

34.095

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

6216-0195 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6216-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6216-0195?
Check Price and Availability of 6216-0195, 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 6216-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6216-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6216-0195
  • 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 6216-0195 available by request