C721-0796 Screening compound: ethyl 1-[2-(benzylcarbamoyl)ethyl]-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate

C721-0796 Screening compound: ethyl 1-[2-(benzylcarbamoyl)ethyl]-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
C721-0796 Screening compound: ethyl 1-[2-(benzylcarbamoyl)ethyl]-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C721-0796
ethyl 1-[2-(benzylcarbamoyl)ethyl]-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-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

C721-0796

Molecular Formula

C25H28N2O3 (C25 H28 N2 O3)

Compound Name

ethyl 1-[2-(benzylcarbamoyl)ethyl]-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-[2-(benzylcarbamoyl)ethyl]-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCC(NCc2ccccc2)=O)c(-c2ccc(C)cc2)c1)=O

InChI

InChI=1S/C25H28N2O3/c1-4-30-25(29)22-16-23(21-12-10-18(2)11-13-21)27(19(22)3)15-14-24(28)26-17-20-8-6-5-7-9-20/h5-13,16H,4,14-15,17H2,1-3H3,(H,26,28)

InChI Key

IZVYLSJIIYHYBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.101

Distribution Coefficient, logD

5.101

Water Solubility, LogSw

-4.83

Polar Surface Area

46.121

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C721-0796 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

MCL1 Targeted Library (12200 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C721-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C721-0796?
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What is the minimum amount of C721-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C721-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C721-0796
  • 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 C721-0796 available by request