4424-1136 Screening compound: ethyl 2-{3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

4424-1136 Screening compound: ethyl 2-{3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
4424-1136 Screening compound: ethyl 2-{3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-1136
ethyl 2-{3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-2-oxo-5-[4-(propan-2-yl)phenyl]-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

4424-1136

Molecular Formula

C31H32N2O6S (C31 H32 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)nc(N(C(C(C(c(cc2)c(C)cc2OCC=C)=O)=C2O)c3ccc(C(C)C)cc3)C2=O)s1)=O

InChI

InChI=1S/C31H32N2O6S/c1-7-15-39-22-13-14-23(18(5)16-22)26(34)24-25(21-11-9-20(10-12-21)17(3)4)33(29(36)27(24)35)31-32-19(6)28(40-31)30(37)38-8-2/h7,9-14,16-17,25,35H,1,8,15H2,2-6H3/t25-/m1/s1

InChI Key

LOLVDACRJBULKH-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03417641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.699

Distribution Coefficient, logD

6.604

Water Solubility, LogSw

-5.66

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

29.00

4424-1136 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 4424-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-1136?
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What is the minimum amount of 4424-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-1136
  • 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 4424-1136 available by request