3078-0591 Screening compound: 11-[4-(2-pyridyl)piperazino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3078-0591 Screening compound: 11-[4-(2-pyridyl)piperazino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3078-0591 Screening compound: 11-[4-(2-pyridyl)piperazino]-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 3078-0591
11-[4-(2-pyridyl)piperazino]-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

3078-0591

Molecular Formula

C24H22N6 (C24 H22 N6)

Compound Name

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

IUPAC name

16-[4-(pyridin-2-yl)piperazin-1-yl]-18-diazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-2(7)3581015-hexaene-10-carbonitrile

SMILES

N#Cc(c1nc(cccc2)c2n11)c(CCC2)c2c1N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C24H22N6/c25-16-19-17-6-5-7-18(17)24(30-21-9-2-1-8-20(21)27-23(19)30)29-14-12-28(13-15-29)22-10-3-4-11-26-22/h1-4,8-11H,5-7,12-15H2

InChI Key

NWVQUFAQDNECJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00656771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.36

Polar Surface Area

44.252

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

3078-0591 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3078-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3078-0591?
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What is the minimum amount of 3078-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3078-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3078-0591
  • 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 3078-0591 available by request