3078-1202 Screening compound: 11-(2-methyl-1H-imidazol-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3078-1202 Screening compound: 11-(2-methyl-1H-imidazol-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3078-1202 Screening compound: 11-(2-methyl-1H-imidazol-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3078-1202
11-(2-methyl-1H-imidazol-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]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

3078-1202

Molecular Formula

C19H15N5 (C19 H15 N5)

Compound Name

11-(2-methyl-1H-imidazol-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

16-(2-methyl-1H-imidazol-1-yl)-18-diazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-2(7)3581015-hexaene-10-carbonitrile

SMILES

Cc1nccn1-c(n1c2nc3c1cccc3)c(CCC1)c1c2C#N

InChI

InChI=1S/C19H15N5/c1-12-21-9-10-23(12)19-14-6-4-5-13(14)15(11-20)18-22-16-7-2-3-8-17(16)24(18)19/h2-3,7-10H,4-6H2,1H3

InChI Key

GCADTYLJGLGURF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01038401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-2.57

Polar Surface Area

41.774

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3078-1202 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3078-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3078-1202?
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What is the minimum amount of 3078-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3078-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3078-1202
  • 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 3078-1202 available by request