G793-0641 Screening compound: ethyl 3,5-dimethyl-4-[3-oxo-3-(3-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}piperidin-1-yl)propyl]-1H-pyrrole-2-carboxylate

G793-0641 Screening compound: ethyl 3,5-dimethyl-4-[3-oxo-3-(3-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}piperidin-1-yl)propyl]-1H-pyrrole-2-carboxylate
G793-0641 Screening compound: ethyl 3,5-dimethyl-4-[3-oxo-3-(3-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}piperidin-1-yl)propyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0641
ethyl 3,5-dimethyl-4-[3-oxo-3-(3-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}piperidin-1-yl)propyl]-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

G793-0641

Molecular Formula

C24H38N4O4 (C24 H38 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CCC(N(CCC2)CC2C(NCCN2CCCC2)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C24H38N4O4/c1-4-32-24(31)22-17(2)20(18(3)26-22)9-10-21(29)28-14-7-8-19(16-28)23(30)25-11-15-27-12-5-6-13-27/h19,26H,4-16H2,1-3H3,(H,25,30)/t19-/m0/s1

InChI Key

KROKGLZPYNFEBV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27159127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

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

1.738

Distribution Coefficient, logD

-0.502

Water Solubility, LogSw

-1.91

Polar Surface Area

76.631

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.80

G793-0641 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)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G793-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0641?
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What is the minimum amount of G793-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0641
  • 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 G793-0641 available by request