P894-0098 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]phthalazin-1-amine

P894-0098 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]phthalazin-1-amine
P894-0098 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P894-0098
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]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

P894-0098

Molecular Formula

C21H27N7O (C21 H27 N7 O)

Compound Name

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]phthalazin-1-amine

IUPAC name

4-(3-cyclopropyl-124-oxadiazol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]phthalazin-1-amine

SMILES

CN1CCN(CCCNc2nnc(-c3nc(C4CC4)no3)c3ccccc23)CC1

InChI

InChI=1S/C21H27N7O/c1-27-11-13-28(14-12-27)10-4-9-22-20-17-6-3-2-5-16(17)18(24-25-20)21-23-19(26-29-21)15-7-8-15/h2-3,5-6,15H,4,7-14H2,1H3,(H,22,25)

InChI Key

NRWCZZBCVKHWGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.360

Distribution Coefficient, logD

1.545

Water Solubility, LogSw

-2.70

Polar Surface Area

72.584

Acid Dissociation Constant (pKa)

20.51

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P894-0098 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P894-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P894-0098?
Check Price and Availability of P894-0098, 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 P894-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P894-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P894-0098
  • 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 P894-0098 available by request