1216-0077 Screening compound: 4-{4-heptylbicyclo[2.2.2]octan-1-yl}benzonitrile

1216-0077 Screening compound: 4-{4-heptylbicyclo[2.2.2]octan-1-yl}benzonitrile
1216-0077 Screening compound: 4-{4-heptylbicyclo[2.2.2]octan-1-yl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1216-0077
4-{4-heptylbicyclo[2.2.2]octan-1-yl}benzonitrile

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

1216-0077

Molecular Formula

C22H31N (C22 H31 N)

Compound Name

4-{4-heptylbicyclo[2.2.2]octan-1-yl}benzonitrile

IUPAC name

4-{4-heptylbicyclo[2.2.2]octan-1-yl}benzonitrile

SMILES

CCCCCCCC(CC1)(CC2)CCC12c(cc1)ccc1C#N

InChI

InChI=1S/C22H31N/c1-2-3-4-5-6-11-21-12-15-22(16-13-21,17-14-21)20-9-7-19(18-23)8-10-20/h7-10H,2-6,11-17H2,1H3

InChI Key

FERAVBRGUZGMOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01003072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.49

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.555

Distribution Coefficient, logD

6.555

Water Solubility, LogSw

-5.95

Polar Surface Area

17.136

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

1216-0077 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 1216-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1216-0077?
Check Price and Availability of 1216-0077, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1216-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1216-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1216-0077
  • 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 1216-0077 available by request