5228-5336 Screening compound: 11-{[2-(2-hydroxyethoxy)ethyl]amino}-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide

5228-5336 Screening compound: 11-{[2-(2-hydroxyethoxy)ethyl]amino}-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide
5228-5336 Screening compound: 11-{[2-(2-hydroxyethoxy)ethyl]amino}-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-5336
11-{[2-(2-hydroxyethoxy)ethyl]amino}-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide

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

5228-5336

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

11-{[2-(2-hydroxyethoxy)ethyl]amino}-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide

IUPAC name

9-{[2-(2-hydroxyethoxy)ethyl]amino}-1017-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)2811(16)1214-hexaene-2-carbonitrile

SMILES

N#Cc1c(CCCC2)c2c(NCCOCCO)n2c1nc1c2cccc1

InChI

InChI=1S/C20H22N4O2/c21-13-16-14-5-1-2-6-15(14)19(22-9-11-26-12-10-25)24-18-8-4-3-7-17(18)23-20(16)24/h3-4,7-8,22,25H,1-2,5-6,9-12H2

InChI Key

ZKGIMKUMFKMLOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03684918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-2.31

Polar Surface Area

61.952

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

5228-5336 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5228-5336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-5336?
Check Price and Availability of 5228-5336, 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 5228-5336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-5336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-5336
  • 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 5228-5336 available by request