2418-0089 Screening compound: 2-(2-methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-1-ethanamine

2418-0089 Screening compound: 2-(2-methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-1-ethanamine
2418-0089 Screening compound: 2-(2-methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-1-ethanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2418-0089
2-(2-methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-1-ethanamine

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

2418-0089

Molecular Formula

C14H18N2 (C14 H18 N2)

Compound Name

2-(2-methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-1-ethanamine

IUPAC name

2-{2-methyl-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraen-3-yl}ethan-1-amine

SMILES

Cc1c(CCN)c2cccc3c2n1CCC3

InChI

InChI=1S/C14H18N2/c1-10-12(7-8-15)13-6-2-4-11-5-3-9-16(10)14(11)13/h2,4,6H,3,5,7-9,15H2,1H3

InChI Key

VDHFYTROGAAQAG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HOOCCH(OH)CH(OH)COOH

Molecular Weight

214.31

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.803

Distribution Coefficient, logD

-0.928

Water Solubility, LogSw

-1.70

Polar Surface Area

21.957

Acid Dissociation Constant (pKa)

22.86

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

2418-0089 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2418-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2418-0089?
Check Price and Availability of 2418-0089, 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 2418-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2418-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2418-0089
  • 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 2418-0089 available by request