3084-0337 Screening compound: 2-ethyl-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3084-0337 Screening compound: 2-ethyl-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3084-0337 Screening compound: 2-ethyl-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3084-0337
2-ethyl-3-methyl-1-oxo-1,5-dihydropyrido[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

3084-0337

Molecular Formula

C15H13N3O (C15 H13 N3 O)

Compound Name

2-ethyl-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-ethyl-11-methyl-13-oxo-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)35911-pentaene-10-carbonitrile

SMILES

CCC1=C(C)C(C#N)=C(Nc2c3cccc2)N3C1=O

InChI

InChI=1S/C15H13N3O/c1-3-10-9(2)11(8-16)14-17-12-6-4-5-7-13(12)18(14)15(10)19/h4-7,17H,3H2,1-2H3

InChI Key

VKGICQBHQLMRAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00433341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-2.76

Polar Surface Area

43.559

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

-6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3084-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3084-0337?
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What is the minimum amount of 3084-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3084-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3084-0337
  • 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 3084-0337 available by request