G955-0171 Screening compound: 1,4-dimethyl-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1H-pyrrole-3-carboxylic acid

G955-0171 Screening compound: 1,4-dimethyl-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1H-pyrrole-3-carboxylic acid
G955-0171 Screening compound: 1,4-dimethyl-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G955-0171
1,4-dimethyl-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-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

G955-0171

Molecular Formula

C18H20N2O3 (C18 H20 N2 O3)

Compound Name

1,4-dimethyl-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1H-pyrrole-3-carboxylic acid

IUPAC name

14-dimethyl-2-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-1H-pyrrole-3-carboxylic acid

SMILES

Cc1cn(C)c(CC(N(CC2)Cc3c2cccc3)=O)c1C(O)=O

InChI

InChI=1S/C18H20N2O3/c1-12-10-19(2)15(17(12)18(22)23)9-16(21)20-8-7-13-5-3-4-6-14(13)11-20/h3-6,10H,7-9,11H2,1-2H3,(H,22,23)

InChI Key

WNWBCRDIAMXPJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.188

Distribution Coefficient, logD

0.388

Water Solubility, LogSw

-2.13

Polar Surface Area

46.996

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G955-0171 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G955-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G955-0171?
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What is the minimum amount of G955-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G955-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G955-0171
  • 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 G955-0171 available by request