D457-0845 Screening compound: N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

D457-0845 Screening compound: N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
D457-0845 Screening compound: N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0845
N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-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

D457-0845

Molecular Formula

C22H24N6O2 (C22 H24 N6 O2)

Compound Name

N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

IUPAC name

N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-[124]triazolo[34-a]phthalazin-6-amine

SMILES

COc1ccc(C(CNc(c2c3cccc2)nn2c3nnc2)N2CCOCC2)cc1

InChI

InChI=1S/C22H24N6O2/c1-29-17-8-6-16(7-9-17)20(27-10-12-30-13-11-27)14-23-21-18-4-2-3-5-19(18)22-25-24-15-28(22)26-21/h2-9,15,20H,10-14H2,1H3,(H,23,26)/t20-/m0/s1

InChI Key

HFJWXMNAWCFSOD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD12919542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

2.244

Water Solubility, LogSw

-2.63

Polar Surface Area

62.910

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

D457-0845 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D457-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0845?
Check Price and Availability of D457-0845, 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 D457-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0845
  • 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 D457-0845 available by request