4424-0927 Screening compound: ethyl 2-[3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

4424-0927 Screening compound: ethyl 2-[3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
4424-0927 Screening compound: ethyl 2-[3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0927
ethyl 2-[3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-(4-methylphenyl)-2-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

4424-0927

Molecular Formula

C29H30N2O6S (C29 H30 N2 O6 S)

Compound Name

ethyl 2-[3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-5-(4-methylphenyl)-2-oxo-25-dihydro-1H-pyrrol-1-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCCOc(cc1)cc(C)c1C(C(C(c1ccc(C)cc1)N(C1=O)c2nc(C)c(C(OCC)=O)s2)=C1O)=O

InChI

InChI=1S/C29H30N2O6S/c1-6-14-37-20-12-13-21(17(4)15-20)24(32)22-23(19-10-8-16(3)9-11-19)31(27(34)25(22)33)29-30-18(5)26(38-29)28(35)36-7-2/h8-13,15,23,33H,6-7,14H2,1-5H3/t23-/m1/s1

InChI Key

WVTFNGPSJIBKRF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03017174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.63

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

6.210

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-5.37

Polar Surface Area

82.784

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

4424-0927 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 4424-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0927?
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What is the minimum amount of 4424-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0927
  • 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 4424-0927 available by request