5228-5394 Screening compound: 1-{[3-(diethylamino)propyl]amino}-3-methyl-2-(2-methylallyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

5228-5394 Screening compound: 1-{[3-(diethylamino)propyl]amino}-3-methyl-2-(2-methylallyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
5228-5394 Screening compound: 1-{[3-(diethylamino)propyl]amino}-3-methyl-2-(2-methylallyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-5394
1-{[3-(diethylamino)propyl]amino}-3-methyl-2-(2-methylallyl)pyrido[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

5228-5394

Molecular Formula

C24H31N5 (C24 H31 N5)

Compound Name

1-{[3-(diethylamino)propyl]amino}-3-methyl-2-(2-methylallyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-{[3-(diethylamino)propyl]amino}-11-methyl-12-(2-methylprop-2-en-1-yl)-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCN(CC)CCCNc(n1c2nc3c1cccc3)c(CC(C)=C)c(C)c2C#N

InChI

InChI=1S/C24H31N5/c1-6-28(7-2)14-10-13-26-23-19(15-17(3)4)18(5)20(16-25)24-27-21-11-8-9-12-22(21)29(23)24/h8-9,11-12,26H,3,6-7,10,13-15H2,1-2,4-5H3

InChI Key

MTDJLYRNZKODDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03664058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.620

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-5.63

Polar Surface Area

38.538

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

5228-5394 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 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:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5228-5394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-5394?
Check Price and Availability of 5228-5394, 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 5228-5394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-5394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-5394
  • 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 5228-5394 available by request