0074-0043 Screening compound: 4-(octyloxy)benzonitrile

0074-0043 Screening compound: 4-(octyloxy)benzonitrile
0074-0043 Screening compound: 4-(octyloxy)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0043
4-(octyloxy)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

0074-0043

Molecular Formula

C15H21NO (C15 H21 NO)

Compound Name

4-(octyloxy)benzonitrile

IUPAC name

4-(octyloxy)benzonitrile

SMILES

CCCCCCCCOc(cc1)ccc1C#N

InChI

InChI=1S/C15H21NO/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11H,2-7,12H2,1H3

InChI Key

GFNSBTARZPEIPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00043483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.314

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.23

Polar Surface Area

24.712

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

0074-0043 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0074-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0043?
Check Price and Availability of 0074-0043, 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 0074-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0043
  • 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 0074-0043 available by request