G798-0228 Screening compound: ethyl 4-[(N-cyclohexyl-2-cyclopentylacetamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0228 Screening compound: ethyl 4-[(N-cyclohexyl-2-cyclopentylacetamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0228 Screening compound: ethyl 4-[(N-cyclohexyl-2-cyclopentylacetamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0228
ethyl 4-[(N-cyclohexyl-2-cyclopentylacetamido)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

G798-0228

Molecular Formula

C23H36N2O3 (C23 H36 N2 O3)

Compound Name

ethyl 4-[(N-cyclohexyl-2-cyclopentylacetamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[(N-cyclohexyl-2-cyclopentylacetamido)methyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(C2CCCCC2)C(CC2CCCC2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C23H36N2O3/c1-4-28-23(27)22-16(2)20(17(3)24-22)15-25(19-12-6-5-7-13-19)21(26)14-18-10-8-9-11-18/h18-19,24H,4-15H2,1-3H3

InChI Key

HDMLFGDBTVHCOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-4.91

Polar Surface Area

47.188

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.90

G798-0228 in Drug Discovery

Included in Screening Libraries

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

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G798-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0228?
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What is the minimum amount of G798-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0228
  • 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 G798-0228 available by request