G798-0321 Screening compound: ethyl 4-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0321 Screening compound: ethyl 4-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0321 Screening compound: ethyl 4-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0321
ethyl 4-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}-3,5-dimethyl-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

G798-0321

Molecular Formula

C22H23FN2O4 (C22 H23 FN2 O4)

Compound Name

ethyl 4-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(Cc2ccco2)C(c(cccc2)c2F)=O)c(C)[nH]1)=O

InChI

InChI=1S/C22H23FN2O4/c1-4-28-22(27)20-14(2)18(15(3)24-20)13-25(12-16-8-7-11-29-16)21(26)17-9-5-6-10-19(17)23/h5-11,24H,4,12-13H2,1-3H3

InChI Key

LTJNGYGEEFYBCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-3.98

Polar Surface Area

55.662

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with G798-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0321?
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What is the minimum amount of G798-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0321
  • 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 G798-0321 available by request