5340-0133 Screening compound: ethyl 3-bromo-2-methyl-4-[(4-methylphenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate

5340-0133 Screening compound: ethyl 3-bromo-2-methyl-4-[(4-methylphenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
5340-0133 Screening compound: ethyl 3-bromo-2-methyl-4-[(4-methylphenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5340-0133
ethyl 3-bromo-2-methyl-4-[(4-methylphenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-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

5340-0133

Molecular Formula

C21H21BrN2O3 (C21 H21 BrN2 O3)

Compound Name

ethyl 3-bromo-2-methyl-4-[(4-methylphenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 3-bromo-2-methyl-4-[(4-methylphenyl)amino]-5-oxo-1-phenyl-25-dihydro-1H-pyrrole-2-carboxylate

SMILES

CCOC(C(C)(C(Br)=C(C1=O)Nc2ccc(C)cc2)N1c1ccccc1)=O

InChI

InChI=1S/C21H21BrN2O3/c1-4-27-20(26)21(3)18(22)17(23-15-12-10-14(2)11-13-15)19(25)24(21)16-8-6-5-7-9-16/h5-13,23H,4H2,1-3H3/t21-/m1/s1

InChI Key

NGCBIWKJTQYGIM-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02157821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

4.596

Water Solubility, LogSw

-4.25

Polar Surface Area

45.648

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 5340-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5340-0133?
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What is the minimum amount of 5340-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5340-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5340-0133
  • 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 5340-0133 available by request