3174-0443 Screening compound: (4Z)-3-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-5-one

3174-0443 Screening compound: (4Z)-3-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-5-one
3174-0443 Screening compound: (4Z)-3-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3174-0443
(4Z)-3-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-5-one

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

3174-0443

Molecular Formula

C24H15F3N2O4 (C24 H15 F3 N2 O4)

Compound Name

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

IUPAC name

(4Z)-3-methyl-4-{[5-(1-oxo-13-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-[3-(trifluoromethyl)phenyl]-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C/c2ccc(-c(cc3)cc(CO4)c3C4=O)o2)=NN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C24H15F3N2O4/c1-13-20(22(30)29(28-13)17-4-2-3-16(10-17)24(25,26)27)11-18-6-8-21(33-18)14-5-7-19-15(9-14)12-32-23(19)31/h2-11H,12H2,1H3

InChI Key

ZAVZCRDNTLPRMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.890

Distribution Coefficient, logD

4.890

Water Solubility, LogSw

-4.76

Polar Surface Area

55.729

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3174-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3174-0443?
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What is the minimum amount of 3174-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3174-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3174-0443
  • 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 3174-0443 available by request