E239-0458 Screening compound: N-(4-fluorophenyl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide

E239-0458 Screening compound: N-(4-fluorophenyl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
E239-0458 Screening compound: N-(4-fluorophenyl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E239-0458
N-(4-fluorophenyl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide

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

E239-0458

Molecular Formula

C27H23FN4O3S (C27 H23 FN4 O3 S)

Compound Name

N-(4-fluorophenyl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide

IUPAC name

N-(4-fluorophenyl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-45-dihydro-1H-pyrazol-1-yl]-4-oxo-45-dihydro-13-thiazol-5-yl}acetamide

SMILES

COc(cc1)ccc1C(CC1c2ccccc2)=NN1C(SC1CC(Nc(cc2)ccc2F)=O)=NC1=O

InChI

InChI=1S/C27H23FN4O3S/c1-35-21-13-7-17(8-14-21)22-15-23(18-5-3-2-4-6-18)32(31-22)27-30-26(34)24(36-27)16-25(33)29-20-11-9-19(28)10-12-20/h2-14,23-24H,15-16H2,1H3,(H,29,33)

InChI Key

DPEICHWLFIRBHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.025

Distribution Coefficient, logD

5.025

Water Solubility, LogSw

-4.63

Polar Surface Area

66.516

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with E239-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E239-0458?
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What is the minimum amount of E239-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E239-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E239-0458
  • 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 E239-0458 available by request