5425-2189 Screening compound: 4-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate

5425-2189 Screening compound: 4-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl thiophene-2-carboxylate
5425-2189 Screening compound: 4-{[(4Z)-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 5425-2189
4-{[(4Z)-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

5425-2189

Molecular Formula

C22H17N3O5S2 (C22 H17 N3 O5 S2)

Compound Name

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

IUPAC name

4-{[(4Z)-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)ccc2OC(c2cccs2)=O)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C22H17N3O5S2/c1-14-19(21(26)25(24-14)16-6-10-18(11-7-16)32(23,28)29)13-15-4-8-17(9-5-15)30-22(27)20-3-2-12-31-20/h2-13H,1H3,(H2,23,28,29)

InChI Key

BLWVVROYWNYNEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.58

Polar Surface Area

97.586

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5425-2189 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5425-2189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5425-2189?
Check Price and Availability of 5425-2189, 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 5425-2189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5425-2189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5425-2189
  • 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 5425-2189 available by request