3078-0593 Screening compound: 11-(4-benzylpiperazino)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3078-0593 Screening compound: 11-(4-benzylpiperazino)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3078-0593 Screening compound: 11-(4-benzylpiperazino)-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 3078-0593
11-(4-benzylpiperazino)-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

3078-0593

Molecular Formula

C26H25N5 (C26 H25 N5)

Compound Name

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

IUPAC name

16-(4-benzylpiperazin-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(Cc2ccccc2)CC1

InChI

InChI=1S/C26H25N5/c27-17-22-20-9-6-10-21(20)26(31-24-12-5-4-11-23(24)28-25(22)31)30-15-13-29(14-16-30)18-19-7-2-1-3-8-19/h1-5,7-8,11-12H,6,9-10,13-16,18H2

InChI Key

RSMWYEYUSJQMDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00656773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

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

4.334

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.32

Polar Surface Area

36.021

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3078-0593 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 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:
  • 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 3078-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3078-0593?
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What is the minimum amount of 3078-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3078-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3078-0593
  • 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 3078-0593 available by request