G793-0583 Screening compound: ethyl 4-(3-{3-[(2-methoxyethyl)carbamoyl]piperidin-1-yl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0583 Screening compound: ethyl 4-(3-{3-[(2-methoxyethyl)carbamoyl]piperidin-1-yl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0583 Screening compound: ethyl 4-(3-{3-[(2-methoxyethyl)carbamoyl]piperidin-1-yl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0583
ethyl 4-(3-{3-[(2-methoxyethyl)carbamoyl]piperidin-1-yl}-3-oxopropyl)-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

G793-0583

Molecular Formula

C21H33N3O5 (C21 H33 N3 O5)

Compound Name

ethyl 4-(3-{3-[(2-methoxyethyl)carbamoyl]piperidin-1-yl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-(3-{3-[(2-methoxyethyl)carbamoyl]piperidin-1-yl}-3-oxopropyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(N(CCC2)CC2C(NCCOC)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C21H33N3O5/c1-5-29-21(27)19-14(2)17(15(3)23-19)8-9-18(25)24-11-6-7-16(13-24)20(26)22-10-12-28-4/h16,23H,5-13H2,1-4H3,(H,22,26)/t16-/m0/s1

InChI Key

MHBKSMDEEXJDOC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27159103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.416

Distribution Coefficient, logD

1.416

Water Solubility, LogSw

-1.50

Polar Surface Area

80.897

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

G793-0583 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 G793-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0583?
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What is the minimum amount of G793-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0583
  • 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 G793-0583 available by request