8011-7096 Screening compound: 4-(4-methoxyphenyl)-N-(1-methyl-1H-1,3-benzodiazol-5-yl)phthalazin-1-amine

8011-7096 Screening compound: 4-(4-methoxyphenyl)-N-(1-methyl-1H-1,3-benzodiazol-5-yl)phthalazin-1-amine
8011-7096 Screening compound: 4-(4-methoxyphenyl)-N-(1-methyl-1H-1,3-benzodiazol-5-yl)phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7096
4-(4-methoxyphenyl)-N-(1-methyl-1H-1,3-benzodiazol-5-yl)phthalazin-1-amine

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

8011-7096

Molecular Formula

C23H19N5O (C23 H19 N5 O)

Compound Name

4-(4-methoxyphenyl)-N-(1-methyl-1H-1,3-benzodiazol-5-yl)phthalazin-1-amine

IUPAC name

4-(4-methoxyphenyl)-N-(1-methyl-1H-13-benzodiazol-5-yl)phthalazin-1-amine

SMILES

Cn1c(ccc(Nc2nnc(-c(cc3)ccc3OC)c3ccccc23)c2)c2nc1

InChI

InChI=1S/C23H19N5O/c1-28-14-24-20-13-16(9-12-21(20)28)25-23-19-6-4-3-5-18(19)22(26-27-23)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H,25,27)

InChI Key

MDHPFFQTWOECOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02239693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-4.43

Polar Surface Area

50.317

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8011-7096 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-7096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7096?
Check Price and Availability of 8011-7096, 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 8011-7096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7096
  • 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 8011-7096 available by request