4338-0753 Screening compound: 4-[(4Z)-3-methyl-4-{[4-(morpholin-4-yl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

4338-0753 Screening compound: 4-[(4Z)-3-methyl-4-{[4-(morpholin-4-yl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
4338-0753 Screening compound: 4-[(4Z)-3-methyl-4-{[4-(morpholin-4-yl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-0753
4-[(4Z)-3-methyl-4-{[4-(morpholin-4-yl)phenyl]methylidene}-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

4338-0753

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C/c(cc2)ccc2N2CCOCC2)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C21H22N4O4S/c1-15-20(14-16-2-4-17(5-3-16)24-10-12-29-13-11-24)21(26)25(23-15)18-6-8-19(9-7-18)30(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28)

InChI Key

FWIQLVJOLOCQHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02907812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.667

Distribution Coefficient, logD

1.666

Water Solubility, LogSw

-2.23

Polar Surface Area

87.551

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4338-0753 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4338-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-0753?
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What is the minimum amount of 4338-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-0753
  • 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 4338-0753 available by request