3084-0133 Screening compound: 1-(1-azepanyl)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3084-0133 Screening compound: 1-(1-azepanyl)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3084-0133 Screening compound: 1-(1-azepanyl)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3084-0133
1-(1-azepanyl)-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

3084-0133

Molecular Formula

C19H20N4 (C19 H20 N4)

Compound Name

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

IUPAC name

13-(azepan-1-yl)-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc(n1c2nc3c1cccc3)N1CCCCCC1)c2C#N

InChI

InChI=1S/C19H20N4/c1-14-12-18(22-10-6-2-3-7-11-22)23-17-9-5-4-8-16(17)21-19(23)15(14)13-20/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3

InChI Key

SQKSGERHAJUCET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00649388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.80

Polar Surface Area

28.222

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 3084-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3084-0133?
Check Price and Availability of 3084-0133, 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 3084-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3084-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3084-0133
  • 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 3084-0133 available by request