8010-7026 Screening compound: N-[1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]-4-phenylphthalazin-1-amine

8010-7026 Screening compound: N-[1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]-4-phenylphthalazin-1-amine
8010-7026 Screening compound: N-[1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]-4-phenylphthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7026
N-[1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]-4-phenylphthalazin-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

8010-7026

Molecular Formula

C28H21N5O (C28 H21 N5 O)

Compound Name

N-[1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]-4-phenylphthalazin-1-amine

IUPAC name

N-[1-(4-methoxyphenyl)-1H-13-benzodiazol-5-yl]-4-phenylphthalazin-1-amine

SMILES

COc(cc1)ccc1-n1c(ccc(Nc2nnc(-c3ccccc3)c3ccccc23)c2)c2nc1

InChI

InChI=1S/C28H21N5O/c1-34-22-14-12-21(13-15-22)33-18-29-25-17-20(11-16-26(25)33)30-28-24-10-6-5-9-23(24)27(31-32-28)19-7-3-2-4-8-19/h2-18H,1H3,(H,30,32)

InChI Key

RDZDGDIBUAUEHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02161847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.710

Distribution Coefficient, logD

5.299

Water Solubility, LogSw

-6.02

Polar Surface Area

49.949

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

8010-7026 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-7026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7026?
Check Price and Availability of 8010-7026, 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 8010-7026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7026
  • 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 8010-7026 available by request