4545-1535 Screening compound: ethyl 3-(5-{[(4Z)-5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

4545-1535 Screening compound: ethyl 3-(5-{[(4Z)-5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
4545-1535 Screening compound: ethyl 3-(5-{[(4Z)-5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4545-1535
ethyl 3-(5-{[(4Z)-5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

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

4545-1535

Molecular Formula

C24H18F3N3O6S (C24 H18 F3 N3 O6 S)

Compound Name

ethyl 3-(5-{[(4Z)-5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

ethyl 3-(5-{[(4Z)-5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c1cccc(-c2ccc(/C=C(/C(C(F)(F)F)=NN3c(cc4)ccc4S(N)(=O)=O)\C3=O)o2)c1)=O

InChI

InChI=1S/C24H18F3N3O6S/c1-2-35-23(32)15-5-3-4-14(12-15)20-11-8-17(36-20)13-19-21(24(25,26)27)29-30(22(19)31)16-6-9-18(10-7-16)37(28,33)34/h3-13H,2H2,1H3,(H2,28,33,34)

InChI Key

WXQVNEFRBPASIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03182076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.30

Polar Surface Area

105.340

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4545-1535 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4545-1535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4545-1535?
Check Price and Availability of 4545-1535, 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 4545-1535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4545-1535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4545-1535
  • 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 4545-1535 available by request