5340-1576 Screening compound: ethyl 3-bromo-4-[(4-chlorophenyl)amino]-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate

5340-1576 Screening compound: ethyl 3-bromo-4-[(4-chlorophenyl)amino]-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
5340-1576 Screening compound: ethyl 3-bromo-4-[(4-chlorophenyl)amino]-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5340-1576
ethyl 3-bromo-4-[(4-chlorophenyl)amino]-2-methyl-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

5340-1576

Molecular Formula

C20H18BrClN2O3 (C20 H18 BrClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C)(C(Br)=C(C1=O)Nc(cc2)ccc2Cl)N1c1ccccc1)=O

InChI

InChI=1S/C20H18BrClN2O3/c1-3-27-19(26)20(2)17(21)16(23-14-11-9-13(22)10-12-14)18(25)24(20)15-7-5-4-6-8-15/h4-12,23H,3H2,1-2H3/t20-/m1/s1

InChI Key

OPCGRJGNCWNSTG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02159883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.73

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

4.767

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.77

Polar Surface Area

45.648

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5340-1576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5340-1576?
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What is the minimum amount of 5340-1576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5340-1576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5340-1576
  • 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 5340-1576 available by request