P894-0030 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]phthalazin-1-amine

P894-0030 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]phthalazin-1-amine
P894-0030 Screening compound: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P894-0030
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]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

P894-0030

Molecular Formula

C23H23N5O3 (C23 H23 N5 O3)

Compound Name

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

IUPAC name

4-(3-cyclopropyl-124-oxadiazol-5-yl)-N-[2-(34-dimethoxyphenyl)ethyl]phthalazin-1-amine

SMILES

COc(ccc(CCNc1nnc(-c2nc(C3CC3)no2)c2ccccc12)c1)c1OC

InChI

InChI=1S/C23H23N5O3/c1-29-18-10-7-14(13-19(18)30-2)11-12-24-22-17-6-4-3-5-16(17)20(26-27-22)23-25-21(28-31-23)15-8-9-15/h3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,24,27)

InChI Key

POCGUTNQIQJAJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-4.15

Polar Surface Area

80.386

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

P894-0030 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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
  • 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 P894-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P894-0030?
Check Price and Availability of P894-0030, 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 P894-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P894-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P894-0030
  • 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 P894-0030 available by request