G793-0466 Screening compound: ethyl 3,5-dimethyl-4-[3-(4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxylate

G793-0466 Screening compound: ethyl 3,5-dimethyl-4-[3-(4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxylate
G793-0466 Screening compound: ethyl 3,5-dimethyl-4-[3-(4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0466
ethyl 3,5-dimethyl-4-[3-(4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}piperidin-1-yl)-3-oxopropyl]-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

G793-0466

Molecular Formula

C26H43N5O4 (C26 H43 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CCC(N(CC2)CCC2C(NCCCN2CCN(C)CC2)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C26H43N5O4/c1-5-35-26(34)24-19(2)22(20(3)28-24)7-8-23(32)31-13-9-21(10-14-31)25(33)27-11-6-12-30-17-15-29(4)16-18-30/h21,28H,5-18H2,1-4H3,(H,27,33)

InChI Key

NFRFWVJSMPQOEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27159053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.911

Distribution Coefficient, logD

-0.294

Water Solubility, LogSw

-1.20

Polar Surface Area

79.808

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.10

G793-0466 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with G793-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0466?
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What is the minimum amount of G793-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0466
  • 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 G793-0466 available by request