3084-0178 Screening compound: 11-{4-[(E)-3-phenyl-2-propenyl]piperazino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3084-0178 Screening compound: 11-{4-[(E)-3-phenyl-2-propenyl]piperazino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3084-0178 Screening compound: 11-{4-[(E)-3-phenyl-2-propenyl]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 3084-0178
11-{4-[(E)-3-phenyl-2-propenyl]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

3084-0178

Molecular Formula

C28H27N5 (C28 H27 N5)

Compound Name

11-{4-[(E)-3-phenyl-2-propenyl]piperazino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

16-{4-[(2E)-3-phenylprop-2-en-1-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)c2c1N1CCN(C/C=C/c2ccccc2)CC1

InChI

InChI=1S/C28H27N5/c29-20-24-22-11-6-12-23(22)28(33-26-14-5-4-13-25(26)30-27(24)33)32-18-16-31(17-19-32)15-7-10-21-8-2-1-3-9-21/h1-5,7-10,13-14H,6,11-12,15-19H2

InChI Key

YDQYCICGQMSHMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00656769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-5.30

Polar Surface Area

35.999

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3084-0178 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3084-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3084-0178?
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What is the minimum amount of 3084-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3084-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3084-0178
  • 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 3084-0178 available by request