6429-0022 Screening compound: 1-(dimethylamino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

6429-0022 Screening compound: 1-(dimethylamino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
6429-0022 Screening compound: 1-(dimethylamino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6429-0022
1-(dimethylamino)-2-ethyl-3-methylpyrido[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

6429-0022

Molecular Formula

C17H18N4 (C17 H18 N4)

Compound Name

1-(dimethylamino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-(dimethylamino)-12-ethyl-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCc(c(C)c1C#N)c(N(C)C)n2c1nc1c2cccc1

InChI

InChI=1S/C17H18N4/c1-5-12-11(2)13(10-18)16-19-14-8-6-7-9-15(14)21(16)17(12)20(3)4/h6-9H,5H2,1-4H3

InChI Key

VDPLWKWOYRASIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00413149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-4.39

Polar Surface Area

26.718

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

6429-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 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
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6429-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6429-0022?
Check Price and Availability of 6429-0022, 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 6429-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6429-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6429-0022
  • 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 6429-0022 available by request