C721-0178 Screening compound: ethyl 1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

C721-0178 Screening compound: ethyl 1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate
C721-0178 Screening compound: ethyl 1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C721-0178
ethyl 1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dimethyl-5-phenyl-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

C721-0178

Molecular Formula

C25H28N2O4 (C25 H28 N2 O4)

Compound Name

ethyl 1-{[(2-ethoxyphenyl)carbamoyl]methyl}-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-{[(2-ethoxyphenyl)carbamoyl]methyl}-24-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CC(Nc(cccc2)c2OCC)=O)c(-c2ccccc2)c1C)=O

InChI

InChI=1S/C25H28N2O4/c1-5-30-21-15-11-10-14-20(21)26-22(28)16-27-18(4)23(25(29)31-6-2)17(3)24(27)19-12-8-7-9-13-19/h7-15H,5-6,16H2,1-4H3,(H,26,28)

InChI Key

QYLSGWCESUGYLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.57

Polar Surface Area

51.109

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with C721-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C721-0178?
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What is the minimum amount of C721-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C721-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C721-0178
  • 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 C721-0178 available by request