5340-1517 Screening compound: ethyl 2-methyl-4-[(4-methylphenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate

5340-1517 Screening compound: ethyl 2-methyl-4-[(4-methylphenyl)amino]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
5340-1517 Screening compound: ethyl 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 5340-1517
ethyl 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

5340-1517

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-4-26-20(25)21(3)14-18(22-16-12-10-15(2)11-13-16)19(24)23(21)17-8-6-5-7-9-17/h5-14,22H,4H2,1-3H3/t21-/m0/s1

InChI Key

PRBLPODHTSUBFZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02159757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

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

4.201

Distribution Coefficient, logD

4.201

Water Solubility, LogSw

-4.09

Polar Surface Area

46.589

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5340-1517 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5340-1517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5340-1517?
Check Price and Availability of 5340-1517, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5340-1517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5340-1517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5340-1517
  • 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 5340-1517 available by request