P893-0294 Screening compound: 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-{[4-(piperidin-1-yl)phenyl]methyl}phthalazin-1-amine

P893-0294 Screening compound: 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-{[4-(piperidin-1-yl)phenyl]methyl}phthalazin-1-amine
P893-0294 Screening compound: 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-{[4-(piperidin-1-yl)phenyl]methyl}phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P893-0294
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-{[4-(piperidin-1-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

P893-0294

Molecular Formula

C24H26N6O (C24 H26 N6 O)

Compound Name

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

IUPAC name

4-(5-ethyl-134-oxadiazol-2-yl)-N-{[4-(piperidin-1-yl)phenyl]methyl}phthalazin-1-amine

SMILES

CCc1nnc(-c(c2ccccc22)nnc2NCc(cc2)ccc2N2CCCCC2)o1

InChI

InChI=1S/C24H26N6O/c1-2-21-26-29-24(31-21)22-19-8-4-5-9-20(19)23(28-27-22)25-16-17-10-12-18(13-11-17)30-14-6-3-7-15-30/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,25,28)

InChI Key

OSIMBAXQKVVKFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-3.84

Polar Surface Area

66.988

Acid Dissociation Constant (pKa)

18.87

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P893-0294 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P893-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P893-0294?
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What is the minimum amount of P893-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P893-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P893-0294
  • 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 P893-0294 available by request