4708-0086 Screening compound: 11-[4-(4-fluorobenzyl)piperazino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0086 Screening compound: 11-[4-(4-fluorobenzyl)piperazino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0086 Screening compound: 11-[4-(4-fluorobenzyl)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 4708-0086
11-[4-(4-fluorobenzyl)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

4708-0086

Molecular Formula

C26H24FN5 (C26 H24 FN5)

Compound Name

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

IUPAC name

16-{4-[(4-fluorophenyl)methyl]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)c2c1N1CCN(Cc(cc2)ccc2F)CC1

InChI

InChI=1S/C26H24FN5/c27-19-10-8-18(9-11-19)17-30-12-14-31(15-13-30)26-21-5-3-4-20(21)22(16-28)25-29-23-6-1-2-7-24(23)32(25)26/h1-2,6-11H,3-5,12-15,17H2

InChI Key

HPPFNLZAMLZQAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03416978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.35

Polar Surface Area

36.021

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4708-0086 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 4708-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0086?
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What is the minimum amount of 4708-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0086
  • 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 4708-0086 available by request