C721-0067 Screening compound: ethyl 1-{[(3-fluorophenyl)carbamoyl]methyl}-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate

C721-0067 Screening compound: ethyl 1-{[(3-fluorophenyl)carbamoyl]methyl}-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate
C721-0067 Screening compound: ethyl 1-{[(3-fluorophenyl)carbamoyl]methyl}-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C721-0067
ethyl 1-{[(3-fluorophenyl)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

C721-0067

Molecular Formula

C23H23FN2O3 (C23 H23 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(CC(Nc2cccc(F)c2)=O)c(-c2ccccc2)c1C)=O

InChI

InChI=1S/C23H23FN2O3/c1-4-29-23(28)21-15(2)22(17-9-6-5-7-10-17)26(16(21)3)14-20(27)25-19-12-8-11-18(24)13-19/h5-13H,4,14H2,1-3H3,(H,25,27)

InChI Key

UDHONMSSRZBDDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.747

Water Solubility, LogSw

-4.55

Polar Surface Area

44.597

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C721-0067 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C721-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C721-0067?
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What is the minimum amount of C721-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C721-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C721-0067
  • 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 C721-0067 available by request