8015-9302 Screening compound: 2-allyl-3-methyl-1-(4-pyridylamino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

8015-9302 Screening compound: 2-allyl-3-methyl-1-(4-pyridylamino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
8015-9302 Screening compound: 2-allyl-3-methyl-1-(4-pyridylamino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9302
2-allyl-3-methyl-1-(4-pyridylamino)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

8015-9302

Molecular Formula

C21H17N5 (C21 H17 N5)

Compound Name

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

IUPAC name

11-methyl-12-(prop-2-en-1-yl)-13-[(pyridin-4-yl)amino]-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(CC=C)c(Nc1ccncc1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C21H17N5/c1-3-6-16-14(2)17(13-22)21-25-18-7-4-5-8-19(18)26(21)20(16)24-15-9-11-23-12-10-15/h3-5,7-12H,1,6H2,2H3,(H,23,24)

InChI Key

BMTLKCFSIGOQAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03932893

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

339.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-4.38

Polar Surface Area

43.120

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8015-9302 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8015-9302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9302?
Check Price and Availability of 8015-9302, 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 8015-9302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9302
  • 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 8015-9302 available by request