4588-0071 Screening compound: 2-methoxy-4-{[(4E)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate

4588-0071 Screening compound: 2-methoxy-4-{[(4E)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
4588-0071 Screening compound: 2-methoxy-4-{[(4E)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4588-0071
2-methoxy-4-{[(4E)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl thiophene-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

4588-0071

Molecular Formula

C23H19N3O6S2 (C23 H19 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C\c(cc2)cc(OC)c2OC(c2cccs2)=O)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C23H19N3O6S2/c1-14-18(22(27)26(25-14)16-6-8-17(9-7-16)34(24,29)30)12-15-5-10-19(20(13-15)31-2)32-23(28)21-4-3-11-33-21/h3-13H,1-2H3,(H2,24,29,30)

InChI Key

FTNTUTIIDNFALQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02909183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.61

Polar Surface Area

105.303

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4588-0071 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4588-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4588-0071?
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What is the minimum amount of 4588-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4588-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4588-0071
  • 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 4588-0071 available by request