G955-0333 Screening compound: 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid

G955-0333 Screening compound: 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid
G955-0333 Screening compound: 1-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G955-0333
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid

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

G955-0333

Molecular Formula

C16H25N3O3 (C16 H25 N3 O3)

Compound Name

1-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid

IUPAC name

1-ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid

SMILES

CCn1c(CC(N2CCN(CC)CC2)=O)c(C(O)=O)c(C)c1

InChI

InChI=1S/C16H25N3O3/c1-4-17-6-8-19(9-7-17)14(20)10-13-15(16(21)22)12(3)11-18(13)5-2/h11H,4-10H2,1-3H3,(H,21,22)

InChI Key

NWDODVNQCAFDGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15732228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.706

Distribution Coefficient, logD

-1.093

Water Solubility, LogSw

-0.77

Polar Surface Area

50.040

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

G955-0333 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G955-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G955-0333?
Check Price and Availability of G955-0333, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G955-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G955-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G955-0333
  • 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 G955-0333 available by request