5593-2325 Screening compound: methyl 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

5593-2325 Screening compound: methyl 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
5593-2325 Screening compound: methyl 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2325
methyl 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

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

5593-2325

Molecular Formula

C20H17ClN2O4 (C20 H17 ClN2 O4)

Compound Name

methyl 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

IUPAC name

methyl 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-45-dihydro-1H-pyrazol-3-yl]acetate

SMILES

COC(CC(/C(/C1=O)=C/c(cc2)ccc2Cl)=NN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C20H17ClN2O4/c1-26-16-9-7-15(8-10-16)23-20(25)17(18(22-23)12-19(24)27-2)11-13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3

InChI Key

AVBLELOPJSTZPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03487313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-4.34

Polar Surface Area

54.440

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5593-2325 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

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 5593-2325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2325?
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What is the minimum amount of 5593-2325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2325
  • 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 5593-2325 available by request