P894-0049 Screening compound: N-[(2-chlorophenyl)methyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine

P894-0049 Screening compound: N-[(2-chlorophenyl)methyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine
P894-0049 Screening compound: N-[(2-chlorophenyl)methyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P894-0049
N-[(2-chlorophenyl)methyl]-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

P894-0049

Molecular Formula

C20H16ClN5O (C20 H16 ClN5 O)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-4-(3-cyclopropyl-124-oxadiazol-5-yl)phthalazin-1-amine

SMILES

Clc1c(CNc2nnc(-c3nc(C4CC4)no3)c3ccccc23)cccc1

InChI

InChI=1S/C20H16ClN5O/c21-16-8-4-1-5-13(16)11-22-19-15-7-3-2-6-14(15)17(24-25-19)20-23-18(26-27-20)12-9-10-12/h1-8,12H,9-11H2,(H,22,25)

InChI Key

CKWKPLFYODYPPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

4.602

Water Solubility, LogSw

-4.71

Polar Surface Area

65.284

Acid Dissociation Constant (pKa)

18.00

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P894-0049 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

C-Met Library (15277 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 P894-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P894-0049?
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What is the minimum amount of P894-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P894-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P894-0049
  • 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 P894-0049 available by request