00CS-0048 Screening compound: 4'-(pentyloxy)-[1,1'-biphenyl]-4-carbonitrile

00CS-0048 Screening compound: 4'-(pentyloxy)-[1,1'-biphenyl]-4-carbonitrile
00CS-0048 Screening compound: 4'-(pentyloxy)-[1,1'-biphenyl]-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 00CS-0048
4'-(pentyloxy)-[1,1'-biphenyl]-4-carbonitrile

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

00CS-0048

Molecular Formula

C18H19NO (C18 H19 NO)

Compound Name

4'-(pentyloxy)-[1,1'-biphenyl]-4-carbonitrile

IUPAC name

4'-(pentyloxy)-[11'-biphenyl]-4-carbonitrile

SMILES

CCCCCOc(cc1)ccc1-c(cc1)ccc1C#N

InChI

InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3

InChI Key

RDISTOCQRJJICR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00074879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.651

Distribution Coefficient, logD

5.651

Water Solubility, LogSw

-5.40

Polar Surface Area

24.441

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

00CS-0048 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 00CS-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 00CS-0048?
Check Price and Availability of 00CS-0048, 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 00CS-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 00CS-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 00CS-0048
  • 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 00CS-0048 available by request