G793-0798 Screening compound: ethyl 1,3,5-trimethyl-4-(3-oxo-3-piperidinopropyl)-1H-pyrrole-2-carboxylate

G793-0798 Screening compound: ethyl 1,3,5-trimethyl-4-(3-oxo-3-piperidinopropyl)-1H-pyrrole-2-carboxylate
G793-0798 Screening compound: ethyl 1,3,5-trimethyl-4-(3-oxo-3-piperidinopropyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0798
ethyl 1,3,5-trimethyl-4-(3-oxo-3-piperidinopropyl)-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

G793-0798

Molecular Formula

C18H28N2O3 (C18 H28 N2 O3)

Compound Name

ethyl 1,3,5-trimethyl-4-(3-oxo-3-piperidinopropyl)-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 135-trimethyl-4-[3-oxo-3-(piperidin-1-yl)propyl]-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(N2CCCCC2)=O)c(C)n1C)=O

InChI

InChI=1S/C18H28N2O3/c1-5-23-18(22)17-13(2)15(14(3)19(17)4)9-10-16(21)20-11-7-6-8-12-20/h5-12H2,1-4H3

InChI Key

HJRDDJWNSYGERE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27159174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-1.96

Polar Surface Area

38.921

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

G793-0798 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G793-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0798?
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What is the minimum amount of G793-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0798
  • 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 G793-0798 available by request