P894-0125 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-{[4-(morpholin-4-yl)phenyl]methyl}phthalazin-1-amine

P894-0125 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-{[4-(morpholin-4-yl)phenyl]methyl}phthalazin-1-amine
P894-0125 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-{[4-(morpholin-4-yl)phenyl]methyl}phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P894-0125
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-{[4-(morpholin-4-yl)phenyl]methyl}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

P894-0125

Molecular Formula

C24H24N6O2 (C24 H24 N6 O2)

Compound Name

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-{[4-(morpholin-4-yl)phenyl]methyl}phthalazin-1-amine

IUPAC name

4-(3-cyclopropyl-124-oxadiazol-5-yl)-N-{[4-(morpholin-4-yl)phenyl]methyl}phthalazin-1-amine

SMILES

C(c(cc1)ccc1N1CCOCC1)Nc1nnc(-c2nc(C3CC3)no2)c2ccccc12

InChI

InChI=1S/C24H24N6O2/c1-2-4-20-19(3-1)21(24-26-22(29-32-24)17-7-8-17)27-28-23(20)25-15-16-5-9-18(10-6-16)30-11-13-31-14-12-30/h1-6,9-10,17H,7-8,11-15H2,(H,25,28)

InChI Key

ISPBNWJLVIBRRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

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

3.547

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.52

Polar Surface Area

76.645

Acid Dissociation Constant (pKa)

18.87

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P894-0125 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P894-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P894-0125?
Check Price and Availability of P894-0125, 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 P894-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P894-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P894-0125
  • 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 P894-0125 available by request