5510-0178 Screening compound: propyl 4-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

5510-0178 Screening compound: propyl 4-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
5510-0178 Screening compound: propyl 4-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5510-0178
propyl 4-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-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

5510-0178

Molecular Formula

C25H23N3O6S (C25 H23 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(c(cc1)ccc1-c1ccc(/C=C(/C(C)=NN2c(cc3)ccc3S(N)(=O)=O)\C2=O)o1)=O

InChI

InChI=1S/C25H23N3O6S/c1-3-14-33-25(30)18-6-4-17(5-7-18)23-13-10-20(34-23)15-22-16(2)27-28(24(22)29)19-8-11-21(12-9-19)35(26,31)32/h4-13,15H,3,14H2,1-2H3,(H2,26,31,32)

InChI Key

KYODDDOFOZXJDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.54

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

4.250

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.33

Polar Surface Area

104.808

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

5510-0178 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5510-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5510-0178?
Check Price and Availability of 5510-0178, 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 5510-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5510-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5510-0178
  • 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 5510-0178 available by request