4708-0127 Screening compound: 1-{[2-(dimethylamino)ethyl]amino}-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0127 Screening compound: 1-{[2-(dimethylamino)ethyl]amino}-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0127 Screening compound: 1-{[2-(dimethylamino)ethyl]amino}-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0127
1-{[2-(dimethylamino)ethyl]amino}-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

4708-0127

Molecular Formula

C19H23N5 (C19 H23 N5)

Compound Name

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

IUPAC name

13-{[2-(DIMETHYLAMINO)ETHYL]AMINO}-12-ETHYL-11-METHYL-1,8-DIAZATRICYCLO[7.4.0.0^(2,7)]TRIDECA-2(7),3,5,8,10,12-HEXAENE-10-CARBONITRILE

SMILES

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

InChI

InChI=1S/C19H23N5/c1-5-14-13(2)15(12-20)19-22-16-8-6-7-9-17(16)24(19)18(14)21-10-11-23(3)4/h6-9,21H,5,10-11H2,1-4H3

InChI Key

SSUCICNGYRUZSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

1.124

Water Solubility, LogSw

-4.20

Polar Surface Area

38.993

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4708-0127 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 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
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4708-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0127?
Check Price and Availability of 4708-0127, 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 4708-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0127
  • 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 4708-0127 available by request