5055-7391 Screening compound: 1-(4-methylphenoxy)-4-(thiophen-2-yl)phthalazine

5055-7391 Screening compound: 1-(4-methylphenoxy)-4-(thiophen-2-yl)phthalazine
5055-7391 Screening compound: 1-(4-methylphenoxy)-4-(thiophen-2-yl)phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-7391
1-(4-methylphenoxy)-4-(thiophen-2-yl)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

5055-7391

Molecular Formula

C19H14N2OS (C19 H14 N2 OS)

Compound Name

1-(4-methylphenoxy)-4-(thiophen-2-yl)phthalazine

IUPAC name

1-(4-methylphenoxy)-4-(thiophen-2-yl)phthalazine

SMILES

Cc(cc1)ccc1Oc1nnc(-c2cccs2)c2ccccc12

InChI

InChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)22-19-16-6-3-2-5-15(16)18(20-21-19)17-7-4-12-23-17/h2-12H,1H3

InChI Key

MPHAAZXUJPQEQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.63

Polar Surface Area

30.732

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

5055-7391 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5055-7391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-7391?
Check Price and Availability of 5055-7391, 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 5055-7391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-7391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-7391
  • 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 5055-7391 available by request