4424-0547 Screening compound: ethyl 2-[2-(4-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

4424-0547 Screening compound: ethyl 2-[2-(4-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
4424-0547 Screening compound: ethyl 2-[2-(4-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0547
ethyl 2-[2-(4-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

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

4424-0547

Molecular Formula

C28H25FN2O6S (C28 H25 FN2 O6 S)

Compound Name

ethyl 2-[2-(4-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[2-(4-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-5-oxo-25-dihydro-1H-pyrrol-1-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(N(C(C(C(c(cc2)cc(C)c2OCC=C)=O)=C2O)c(cc3)ccc3F)C2=O)s1)=O

InChI

InChI=1S/C28H25FN2O6S/c1-5-13-37-20-12-9-18(14-15(20)3)23(32)21-22(17-7-10-19(29)11-8-17)31(26(34)24(21)33)28-30-16(4)25(38-28)27(35)36-6-2/h5,7-12,14,22,33H,1,6,13H2,2-4H3/t22-/m1/s1

InChI Key

HFLIPYLIUGBBTK-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03933125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.720

Distribution Coefficient, logD

5.577

Water Solubility, LogSw

-5.49

Polar Surface Area

82.871

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

4424-0547 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4424-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0547?
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What is the minimum amount of 4424-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0547
  • 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 4424-0547 available by request