3584-1054 Screening compound: 2-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate

3584-1054 Screening compound: 2-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate
3584-1054 Screening compound: 2-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-1054
2-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate

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

3584-1054

Molecular Formula

C23H17N3O6S (C23 H17 N3 O6 S)

Compound Name

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

IUPAC name

2-{[(4Z)-3-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate

SMILES

CC(/C(/C1=O)=C/c(cccc2)c2OS(c(cccc2)c2[N+]([O-])=O)(=O)=O)=NN1c1ccccc1

InChI

InChI=1S/C23H17N3O6S/c1-16-19(23(27)25(24-16)18-10-3-2-4-11-18)15-17-9-5-7-13-21(17)32-33(30,31)22-14-8-6-12-20(22)26(28)29/h2-15H,1H3

InChI Key

HTEHMKVROSVSIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02121217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.781

Water Solubility, LogSw

-4.05

Polar Surface Area

94.516

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 3584-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-1054?
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What is the minimum amount of 3584-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-1054
  • 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 3584-1054 available by request