3544-1067 Screening compound: 1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]-4-(4-methylphenyl)phthalazine

3544-1067 Screening compound: 1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]-4-(4-methylphenyl)phthalazine
3544-1067 Screening compound: 1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]-4-(4-methylphenyl)phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3544-1067
1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]-4-(4-methylphenyl)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

3544-1067

Molecular Formula

C24H20N4O (C24 H20 N4 O)

Compound Name

1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methoxy]-4-(4-methylphenyl)phthalazine

IUPAC name

1-[(1-methyl-1H-13-benzodiazol-2-yl)methoxy]-4-(4-methylphenyl)phthalazine

SMILES

Cc(cc1)ccc1-c(c1ccccc11)nnc1OCc1nc(cccc2)c2n1C

InChI

InChI=1S/C24H20N4O/c1-16-11-13-17(14-12-16)23-18-7-3-4-8-19(18)24(27-26-23)29-15-22-25-20-9-5-6-10-21(20)28(22)2/h3-14H,15H2,1-2H3

InChI Key

NKUSJCRAWUTATK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-4.87

Polar Surface Area

42.180

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3544-1067 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3544-1067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3544-1067?
Check Price and Availability of 3544-1067, 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 3544-1067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3544-1067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3544-1067
  • 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 3544-1067 available by request