5228-5387 Screening compound: 2-allyl-3-methyl-1-[(3-pyridylmethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

5228-5387 Screening compound: 2-allyl-3-methyl-1-[(3-pyridylmethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
5228-5387 Screening compound: 2-allyl-3-methyl-1-[(3-pyridylmethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-5387
2-allyl-3-methyl-1-[(3-pyridylmethyl)amino]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

5228-5387

Molecular Formula

C22H19N5 (C22 H19 N5)

Compound Name

2-allyl-3-methyl-1-[(3-pyridylmethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

Cc(c(CC=C)c(NCc1cnccc1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C22H19N5/c1-3-7-17-15(2)18(12-23)22-26-19-9-4-5-10-20(19)27(22)21(17)25-14-16-8-6-11-24-13-16/h3-6,8-11,13,25H,1,7,14H2,2H3

InChI Key

UTUHFMMYYSZHBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03685206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.43

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

3.967

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-4.11

Polar Surface Area

44.532

Acid Dissociation Constant (pKa)

17.35

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5228-5387 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5228-5387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-5387?
Check Price and Availability of 5228-5387, 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 5228-5387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-5387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-5387
  • 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 5228-5387 available by request