4169-2514 Screening compound: 4-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

4169-2514 Screening compound: 4-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
4169-2514 Screening compound: 4-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4169-2514
4-(5-{[(4Z)-3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

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

4169-2514

Molecular Formula

C22H17N3O6S (C22 H17 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C/c2ccc(-c(cc3)ccc3C(O)=O)o2)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C22H17N3O6S/c1-13-19(21(26)25(24-13)16-6-9-18(10-7-16)32(23,29)30)12-17-8-11-20(31-17)14-2-4-15(5-3-14)22(27)28/h2-12H,1H3,(H,27,28)(H2,23,29,30)

InChI Key

AJDZSLMHMCNLQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02182431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

-0.742

Water Solubility, LogSw

-3.39

Polar Surface Area

112.168

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4169-2514 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4169-2514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4169-2514?
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What is the minimum amount of 4169-2514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4169-2514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4169-2514
  • 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 4169-2514 available by request