5618-0024 Screening compound: 4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

5618-0024 Screening compound: 4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
5618-0024 Screening compound: 4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-0024
4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-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

5618-0024

Molecular Formula

C22H16F3N3O4S (C22 H16 F3 N3 O4 S)

Compound Name

4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4Z)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

CC(/C(/C1=O)=C/c2ccc(-c3cc(C(F)(F)F)ccc3)o2)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C22H16F3N3O4S/c1-13-19(21(29)28(27-13)16-5-8-18(9-6-16)33(26,30)31)12-17-7-10-20(32-17)14-3-2-4-15(11-14)22(23,24)25/h2-12H,1H3,(H2,26,30,31)

InChI Key

ZAGKAOXYKNXBOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-4.23

Polar Surface Area

83.760

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5618-0024 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5618-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-0024?
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What is the minimum amount of 5618-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-0024
  • 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 5618-0024 available by request