G798-0746 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]-1-(1H-indol-2-yl)formamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0746 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]-1-(1H-indol-2-yl)formamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0746 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]-1-(1H-indol-2-yl)formamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0746
ethyl 4-({N-[(4-chlorophenyl)methyl]-1-(1H-indol-2-yl)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

G798-0746

Molecular Formula

C26H26ClN3O3 (C26 H26 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CN(Cc(cc2)ccc2Cl)C(c2cc(cccc3)c3[nH]2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C26H26ClN3O3/c1-4-33-26(32)24-16(2)21(17(3)28-24)15-30(14-18-9-11-20(27)12-10-18)25(31)23-13-19-7-5-6-8-22(19)29-23/h5-13,28-29H,4,14-15H2,1-3H3

InChI Key

SZRYDHAJAWMVCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

5.822

Water Solubility, LogSw

-6.11

Polar Surface Area

57.262

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G798-0746 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G798-0746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0746?
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What is the minimum amount of G798-0746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0746
  • 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 G798-0746 available by request