5228-5327 Screening compound: 1-{[2-(2-hydroxyethoxy)ethyl]amino}-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

5228-5327 Screening compound: 1-{[2-(2-hydroxyethoxy)ethyl]amino}-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
5228-5327 Screening compound: 1-{[2-(2-hydroxyethoxy)ethyl]amino}-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-5327
1-{[2-(2-hydroxyethoxy)ethyl]amino}-3-propylpyrido[1,2-a][1,3]benzimidazol-4-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

5228-5327

Molecular Formula

C19H22N4O2 (C19 H22 N4 O2)

Compound Name

1-{[2-(2-hydroxyethoxy)ethyl]amino}-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-{[2-(2-hydroxyethoxy)ethyl]amino}-11-propyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCCc(cc(NCCOCCO)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C19H22N4O2/c1-2-5-14-12-18(21-8-10-25-11-9-24)23-17-7-4-3-6-16(17)22-19(23)15(14)13-20/h3-4,6-7,12,21,24H,2,5,8-11H2,1H3

InChI Key

JYVVZMATLGYPMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03688797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.09

Polar Surface Area

60.976

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

5228-5327 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Immunological Library (6760 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
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5228-5327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-5327?
Check Price and Availability of 5228-5327, 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 5228-5327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-5327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-5327
  • 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 5228-5327 available by request