G119-0880 Screening compound: 2-(1-ethyl-2,3-dimethyl-1H-indole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline

G119-0880 Screening compound: 2-(1-ethyl-2,3-dimethyl-1H-indole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline
G119-0880 Screening compound: 2-(1-ethyl-2,3-dimethyl-1H-indole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G119-0880
2-(1-ethyl-2,3-dimethyl-1H-indole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline

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

G119-0880

Molecular Formula

C22H24N2O (C22 H24 N2 O)

Compound Name

2-(1-ethyl-2,3-dimethyl-1H-indole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(1-ethyl-23-dimethyl-1H-indole-5-carbonyl)-1234-tetrahydroisoquinoline

SMILES

CCn1c(ccc(C(N(CC2)Cc3c2cccc3)=O)c2)c2c(C)c1C

InChI

InChI=1S/C22H24N2O/c1-4-24-16(3)15(2)20-13-18(9-10-21(20)24)22(25)23-12-11-17-7-5-6-8-19(17)14-23/h5-10,13H,4,11-12,14H2,1-3H3

InChI Key

BVRPUOYGMHPOKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14981944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.289

Water Solubility, LogSw

-4.21

Polar Surface Area

17.745

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G119-0880 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Nervous system
  • Immune system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G119-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G119-0880?
Check Price and Availability of G119-0880, 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 G119-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G119-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G119-0880
  • 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 G119-0880 available by request