G798-0457 Screening compound: ethyl 4-{[N-benzyl-1-(4-ethoxyphenyl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0457 Screening compound: ethyl 4-{[N-benzyl-1-(4-ethoxyphenyl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0457 Screening compound: ethyl 4-{[N-benzyl-1-(4-ethoxyphenyl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0457
ethyl 4-{[N-benzyl-1-(4-ethoxyphenyl)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

G798-0457

Molecular Formula

C26H30N2O4 (C26 H30 N2 O4)

Compound Name

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

IUPAC name

ethyl 4-{[N-benzyl-1-(4-ethoxyphenyl)formamido]methyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(Cc2ccccc2)C(c(cc2)ccc2OCC)=O)c(C)[nH]1)=O

InChI

InChI=1S/C26H30N2O4/c1-5-31-22-14-12-21(13-15-22)25(29)28(16-20-10-8-7-9-11-20)17-23-18(3)24(27-19(23)4)26(30)32-6-2/h7-15,27H,5-6,16-17H2,1-4H3

InChI Key

HZKWMXKPYLTSED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.603

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-4.29

Polar Surface Area

55.037

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with G798-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0457?
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What is the minimum amount of G798-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0457
  • 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 G798-0457 available by request