4410-3576 Screening compound: 4-[(4Z)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

4410-3576 Screening compound: 4-[(4Z)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
4410-3576 Screening compound: 4-[(4Z)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-3576
4-[(4Z)-4-{[4-(benzyloxy)-3-methoxyphenyl]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

4410-3576

Molecular Formula

C25H23N3O5S (C25 H23 N3 O5 S)

Compound Name

4-[(4Z)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4Z)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

CC(/C(/C1=O)=C/c(cc2)cc(OC)c2OCc2ccccc2)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C25H23N3O5S/c1-17-22(25(29)28(27-17)20-9-11-21(12-10-20)34(26,30)31)14-19-8-13-23(24(15-19)32-2)33-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H2,26,30,31)

InChI Key

QIBSFCIGMLOVRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.55

Polar Surface Area

91.135

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4410-3576 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4410-3576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-3576?
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What is the minimum amount of 4410-3576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-3576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-3576
  • 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 4410-3576 available by request