5586-0891 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate

5586-0891 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
5586-0891 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-0891
2-(4-chlorophenyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate

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

5586-0891

Molecular Formula

C25H19ClN2O4 (C25 H19 ClN2 O4)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate

SMILES

COc(cc1)ccc1-c(c(C(OCC(c(cc1)ccc1Cl)=O)=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C25H19ClN2O4/c1-31-21-13-9-18(10-14-21)24-22(15-28(27-24)20-5-3-2-4-6-20)25(30)32-16-23(29)17-7-11-19(26)12-8-17/h2-15H,16H2,1H3

InChI Key

LRBWAHBMLFINCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02828853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.201

Distribution Coefficient, logD

5.201

Water Solubility, LogSw

-5.67

Polar Surface Area

56.519

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

5586-0891 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5586-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-0891?
Check Price and Availability of 5586-0891, 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 5586-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-0891
  • 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 5586-0891 available by request