0781-2560 Screening compound: 5-methyl-2-phenyl-4-[(E)-1-piperidinomethylidene]-2,4-dihydro-3H-pyrazol-3-one

0781-2560 Screening compound: 5-methyl-2-phenyl-4-[(E)-1-piperidinomethylidene]-2,4-dihydro-3H-pyrazol-3-one
0781-2560 Screening compound: 5-methyl-2-phenyl-4-[(E)-1-piperidinomethylidene]-2,4-dihydro-3H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2560
5-methyl-2-phenyl-4-[(E)-1-piperidinomethylidene]-2,4-dihydro-3H-pyrazol-3-one

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

0781-2560

Molecular Formula

C16H19N3O (C16 H19 N3 O)

Compound Name

5-methyl-2-phenyl-4-[(E)-1-piperidinomethylidene]-2,4-dihydro-3H-pyrazol-3-one

IUPAC name

(4E)-3-methyl-1-phenyl-4-[(piperidin-1-yl)methylidene]-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\N2CCCCC2)=NN1c1ccccc1

InChI

InChI=1S/C16H19N3O/c1-13-15(12-18-10-6-3-7-11-18)16(20)19(17-13)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3

InChI Key

CPRWWCPKEGAJNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00511773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.933

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-2.18

Polar Surface Area

30.201

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

0781-2560 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0781-2560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2560?
Check Price and Availability of 0781-2560, 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 0781-2560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2560
  • 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 0781-2560 available by request