G793-0085 Screening compound: ethyl 4-[2-(cyclooctylcarbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0085 Screening compound: ethyl 4-[2-(cyclooctylcarbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0085 Screening compound: ethyl 4-[2-(cyclooctylcarbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0085
ethyl 4-[2-(cyclooctylcarbamoyl)ethyl]-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

G793-0085

Molecular Formula

C20H32N2O3 (C20 H32 N2 O3)

Compound Name

ethyl 4-[2-(cyclooctylcarbamoyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[2-(cyclooctylcarbamoyl)ethyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(NC2CCCCCCC2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C20H32N2O3/c1-4-25-20(24)19-14(2)17(15(3)21-19)12-13-18(23)22-16-10-8-6-5-7-9-11-16/h16,21H,4-13H2,1-3H3,(H,22,23)

InChI Key

USNMYTAPNHUCKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.301

Distribution Coefficient, logD

4.301

Water Solubility, LogSw

-4.05

Polar Surface Area

56.230

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

G793-0085 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G793-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0085?
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What is the minimum amount of G793-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0085
  • 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 G793-0085 available by request