E239-0191 Screening compound: 2-{2-[3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-fluorophenyl)acetamide

E239-0191 Screening compound: 2-{2-[3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-fluorophenyl)acetamide
E239-0191 Screening compound: 2-{2-[3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E239-0191
2-{2-[3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-(4-fluorophenyl)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

E239-0191

Molecular Formula

C29H27FN4O4S (C29 H27 FN4 O4 S)

Compound Name

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

IUPAC name

2-{2-[3-(25-dimethoxyphenyl)-5-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxo-45-dihydro-13-thiazol-5-yl}-N-(4-fluorophenyl)acetamide

SMILES

Cc1ccc(C(C2)N(C(SC3CC(Nc(cc4)ccc4F)=O)=NC3=O)N=C2c(cc(cc2)OC)c2OC)cc1

InChI

InChI=1S/C29H27FN4O4S/c1-17-4-6-18(7-5-17)24-15-23(22-14-21(37-2)12-13-25(22)38-3)33-34(24)29-32-28(36)26(39-29)16-27(35)31-20-10-8-19(30)9-11-20/h4-14,24,26H,15-16H2,1-3H3,(H,31,35)

InChI Key

VBSIOQWTDPIAIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.340

Distribution Coefficient, logD

5.339

Water Solubility, LogSw

-5.39

Polar Surface Area

74.147

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with E239-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E239-0191?
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What is the minimum amount of E239-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E239-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E239-0191
  • 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 E239-0191 available by request