G798-0123 Screening compound: ethyl 4-{[3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0123 Screening compound: ethyl 4-{[3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0123 Screening compound: ethyl 4-{[3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0123
ethyl 4-{[3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamido]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

G798-0123

Molecular Formula

C28H34N2O5 (C28 H34 N2 O5)

Compound Name

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

IUPAC name

ethyl 4-{[3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamido]methyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(Cc(cc2)ccc2OC)C(CCc(cc2)ccc2OC)=O)c(C)[nH]1)=O

InChI

InChI=1S/C28H34N2O5/c1-6-35-28(32)27-19(2)25(20(3)29-27)18-30(17-22-9-14-24(34-5)15-10-22)26(31)16-11-21-7-12-23(33-4)13-8-21/h7-10,12-15,29H,6,11,16-18H2,1-5H3

InChI Key

DYUOFHOMHNXBFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.818

Distribution Coefficient, logD

4.818

Water Solubility, LogSw

-4.51

Polar Surface Area

62.473

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

G798-0123 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G798-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0123?
Check Price and Availability of G798-0123, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G798-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0123
  • 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 G798-0123 available by request