4410-3431 Screening compound: (4E)-1-(4-fluorophenyl)-4-[(4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

4410-3431 Screening compound: (4E)-1-(4-fluorophenyl)-4-[(4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
4410-3431 Screening compound: (4E)-1-(4-fluorophenyl)-4-[(4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-3431
(4E)-1-(4-fluorophenyl)-4-[(4-hydroxyphenyl)methylidene]-3-methyl-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

4410-3431

Molecular Formula

C17H13FN2O2 (C17 H13 FN2 O2)

Compound Name

(4E)-1-(4-fluorophenyl)-4-[(4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-(4-fluorophenyl)-4-[(4-hydroxyphenyl)methylidene]-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\c(cc2)ccc2O)=NN1c(cc1)ccc1F

InChI

InChI=1S/C17H13FN2O2/c1-11-16(10-12-2-8-15(21)9-3-12)17(22)20(19-11)14-6-4-13(18)5-7-14/h2-10,21H,1H3

InChI Key

IKFRSMURABHDQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02907696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.997

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.20

Polar Surface Area

43.204

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 4410-3431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-3431?
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What is the minimum amount of 4410-3431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-3431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-3431
  • 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 4410-3431 available by request