P894-0004 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3-methylbutyl)phthalazin-1-amine

P894-0004 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3-methylbutyl)phthalazin-1-amine
P894-0004 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3-methylbutyl)phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P894-0004
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3-methylbutyl)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

P894-0004

Molecular Formula

C18H21N5O (C18 H21 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNc1nnc(-c2nc(C3CC3)no2)c2ccccc12

InChI

InChI=1S/C18H21N5O/c1-11(2)9-10-19-17-14-6-4-3-5-13(14)15(21-22-17)18-20-16(23-24-18)12-7-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,19,22)

InChI Key

BQTQXZFQOMJZIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.16

Polar Surface Area

65.397

Acid Dissociation Constant (pKa)

19.19

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

P894-0004 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 P894-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P894-0004?
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What is the minimum amount of P894-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P894-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P894-0004
  • 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 P894-0004 available by request