5055-6870 Screening compound: 1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-phenylphthalazine

5055-6870 Screening compound: 1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-phenylphthalazine
5055-6870 Screening compound: 1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-phenylphthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-6870
1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-phenylphthalazine

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

5055-6870

Molecular Formula

C22H17N5 (C22 H17 N5)

Compound Name

1-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-4-phenylphthalazine

IUPAC name

1-(56-dimethyl-1H-123-benzotriazol-1-yl)-4-phenylphthalazine

SMILES

Cc(c(C)c1)cc2c1nnn2-c1nnc(-c2ccccc2)c2ccccc12

InChI

InChI=1S/C22H17N5/c1-14-12-19-20(13-15(14)2)27(26-23-19)22-18-11-7-6-10-17(18)21(24-25-22)16-8-4-3-5-9-16/h3-13H,1-2H3

InChI Key

DIEODBGIGDIFSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.947

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.94

Polar Surface Area

47.704

Acid Dissociation Constant (pKa)

24.95

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5055-6870 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5055-6870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-6870?
Check Price and Availability of 5055-6870, 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 5055-6870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-6870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-6870
  • 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 5055-6870 available by request