P894-0091 Screening compound: 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine

P894-0091 Screening compound: 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine
P894-0091 Screening compound: 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P894-0091
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-[4-(4-fluorophenyl)piperazin-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

P894-0091

Molecular Formula

C23H21FN6O (C23 H21 FN6 O)

Compound Name

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine

IUPAC name

1-(3-cyclopropyl-124-oxadiazol-5-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine

SMILES

Fc(cc1)ccc1N(CC1)CCN1c1nnc(-c2nc(C3CC3)no2)c2ccccc12

InChI

InChI=1S/C23H21FN6O/c24-16-7-9-17(10-8-16)29-11-13-30(14-12-29)22-19-4-2-1-3-18(19)20(26-27-22)23-25-21(28-31-23)15-5-6-15/h1-4,7-10,15H,5-6,11-14H2

InChI Key

QOPUHLZKYRUTBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.758

Water Solubility, LogSw

-4.95

Polar Surface Area

61.055

Acid Dissociation Constant (pKa)

23.22

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with P894-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P894-0091?
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What is the minimum amount of P894-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P894-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P894-0091
  • 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 P894-0091 available by request