P894-0013 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine

P894-0013 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine
P894-0013 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P894-0013
N-(1-benzylpiperidin-4-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-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

P894-0013

Molecular Formula

C25H26N6O (C25 H26 N6 O)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-(3-cyclopropyl-124-oxadiazol-5-yl)phthalazin-1-amine

SMILES

C(c1ccccc1)N(CC1)CCC1Nc1nnc(-c2nc(C3CC3)no2)c2ccccc12

InChI

InChI=1S/C25H26N6O/c1-2-6-17(7-3-1)16-31-14-12-19(13-15-31)26-24-21-9-5-4-8-20(21)22(28-29-24)25-27-23(30-32-25)18-10-11-18/h1-9,18-19H,10-16H2,(H,26,29)

InChI Key

KUAFDSGVBQOKQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.235

Distribution Coefficient, logD

3.579

Water Solubility, LogSw

-4.24

Polar Surface Area

68.549

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

P894-0013 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P894-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P894-0013?
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What is the minimum amount of P894-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P894-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P894-0013
  • 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 P894-0013 available by request