P894-0101 Screening compound: 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidin-1-yl)phthalazine

P894-0101 Screening compound: 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidin-1-yl)phthalazine
P894-0101 Screening compound: 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidin-1-yl)phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P894-0101
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidin-1-yl)phthalazine

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

P894-0101

Molecular Formula

C17H17N5O (C17 H17 N5 O)

Compound Name

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidin-1-yl)phthalazine

IUPAC name

1-(3-cyclopropyl-124-oxadiazol-5-yl)-4-(pyrrolidin-1-yl)phthalazine

SMILES

C(C1)C1c1noc(-c(c2ccccc22)nnc2N2CCCC2)n1

InChI

InChI=1S/C17H17N5O/c1-2-6-13-12(5-1)14(17-18-15(21-23-17)11-7-8-11)19-20-16(13)22-9-3-4-10-22/h1-2,5-6,11H,3-4,7-10H2

InChI Key

KGCCCELSBNBENS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.557

Water Solubility, LogSw

-3.53

Polar Surface Area

58.161

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

P894-0101 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P894-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P894-0101?
Check Price and Availability of P894-0101, 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 P894-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P894-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P894-0101
  • 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 P894-0101 available by request