5752-0060 Screening compound: 2-methoxy-4-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl furan-2-carboxylate

5752-0060 Screening compound: 2-methoxy-4-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl furan-2-carboxylate
5752-0060 Screening compound: 2-methoxy-4-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5752-0060
2-methoxy-4-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl furan-2-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

5752-0060

Molecular Formula

C23H19N3O7S (C23 H19 N3 O7 S)

Compound Name

2-methoxy-4-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl furan-2-carboxylate

IUPAC name

2-methoxy-4-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-45-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl furan-2-carboxylate

SMILES

CC(/C(/C1=O)=C/c(cc2)cc(OC)c2OC(c2ccco2)=O)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C23H19N3O7S/c1-14-18(22(27)26(25-14)16-6-8-17(9-7-16)34(24,29)30)12-15-5-10-19(21(13-15)31-2)33-23(28)20-4-3-11-32-20/h3-13H,1-2H3,(H2,24,29,30)

InChI Key

ILLLMNLHJDPUEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.49

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.132

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.84

Polar Surface Area

112.863

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

5752-0060 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Carbonic Anhydrase II Library (4939 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 5752-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5752-0060?
Check Price and Availability of 5752-0060, 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 5752-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5752-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5752-0060
  • 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 5752-0060 available by request