4338-1092 Screening compound: 4-[(4Z)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

4338-1092 Screening compound: 4-[(4Z)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
4338-1092 Screening compound: 4-[(4Z)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-1092
4-[(4Z)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

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

4338-1092

Molecular Formula

C19H19N3O6S (C19 H19 N3 O6 S)

Compound Name

4-[(4Z)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4Z)-4-[(4-hydroxy-35-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

CC(/C(/C1=O)=C/c(cc2OC)cc(OC)c2O)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C19H19N3O6S/c1-11-15(8-12-9-16(27-2)18(23)17(10-12)28-3)19(24)22(21-11)13-4-6-14(7-5-13)29(20,25)26/h4-10,23H,1-3H3,(H2,20,25,26)

InChI Key

OBPLUZHLOIPGQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02907824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.000

Distribution Coefficient, logD

0.990

Water Solubility, LogSw

-2.13

Polar Surface Area

106.930

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4338-1092 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 4338-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4338-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-1092
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-1092
  • 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 4338-1092 available by request