5340-0108 Screening compound: ethyl 1-[4-(ethoxycarbonyl)phenyl]-4-{[4-(ethoxycarbonyl)phenyl]amino}-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate

5340-0108 Screening compound: ethyl 1-[4-(ethoxycarbonyl)phenyl]-4-{[4-(ethoxycarbonyl)phenyl]amino}-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate
5340-0108 Screening compound: ethyl 1-[4-(ethoxycarbonyl)phenyl]-4-{[4-(ethoxycarbonyl)phenyl]amino}-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5340-0108
ethyl 1-[4-(ethoxycarbonyl)phenyl]-4-{[4-(ethoxycarbonyl)phenyl]amino}-2-methyl-5-oxo-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

5340-0108

Molecular Formula

C26H28N2O7 (C26 H28 N2 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C)(C=C(C1=O)Nc(cc2)ccc2C(OCC)=O)N1c(cc1)ccc1C(OCC)=O)=O

InChI

InChI=1S/C26H28N2O7/c1-5-33-23(30)17-8-12-19(13-9-17)27-21-16-26(4,25(32)35-7-3)28(22(21)29)20-14-10-18(11-15-20)24(31)34-6-2/h8-16,27H,5-7H2,1-4H3/t26-/m0/s1

InChI Key

SVONMCKJTNVTOC-SANMLTNESA-N

MDL Number (MFCD)

MFCD01031946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-4.87

Polar Surface Area

88.096

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

5340-0108 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5340-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5340-0108?
Check Price and Availability of 5340-0108, 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 5340-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5340-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5340-0108
  • 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 5340-0108 available by request