2082-0463 Screening compound: (4Z)-1-(3-chlorophenyl)-3-methyl-4-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dihydro-1H-pyrazol-5-one

2082-0463 Screening compound: (4Z)-1-(3-chlorophenyl)-3-methyl-4-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dihydro-1H-pyrazol-5-one
2082-0463 Screening compound: (4Z)-1-(3-chlorophenyl)-3-methyl-4-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2082-0463
(4Z)-1-(3-chlorophenyl)-3-methyl-4-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dihydro-1H-pyrazol-5-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

2082-0463

Molecular Formula

C20H17ClN2O2 (C20 H17 ClN2 O2)

Compound Name

(4Z)-1-(3-chlorophenyl)-3-methyl-4-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-1-(3-chlorophenyl)-3-methyl-4-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C/c(cccc2)c2OCC=C)=NN1c1cccc(Cl)c1

InChI

InChI=1S/C20H17ClN2O2/c1-3-11-25-19-10-5-4-7-15(19)12-18-14(2)22-23(20(18)24)17-9-6-8-16(21)13-17/h3-10,12-13H,1,11H2,2H3

InChI Key

LRJKKGYFWWOBGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01157305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-5.47

Polar Surface Area

33.091

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

-8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2082-0463 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2082-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0463?
Check Price and Availability of 2082-0463, 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 2082-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0463
  • 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 2082-0463 available by request