G955-0033 Screening compound: 1,4-dimethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid

G955-0033 Screening compound: 1,4-dimethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
G955-0033 Screening compound: 1,4-dimethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G955-0033
1,4-dimethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-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

G955-0033

Molecular Formula

C14H21N3O3 (C14 H21 N3 O3)

Compound Name

1,4-dimethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid

IUPAC name

14-dimethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid

SMILES

Cc1cn(C)c(CC(N2CCN(C)CC2)=O)c1C(O)=O

InChI

InChI=1S/C14H21N3O3/c1-10-9-16(3)11(13(10)14(19)20)8-12(18)17-6-4-15(2)5-7-17/h9H,4-8H2,1-3H3,(H,19,20)

InChI Key

ISXXZFLIRVHGSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27213959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.048

Distribution Coefficient, logD

-1.751

Water Solubility, LogSw

-0.23

Polar Surface Area

50.811

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

G955-0033 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G955-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G955-0033?
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What is the minimum amount of G955-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G955-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G955-0033
  • 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 G955-0033 available by request