0054-0135 Screening compound: 4'-hydroxy-[1,1'-biphenyl]-4-carbonitrile

0054-0135 Screening compound: 4'-hydroxy-[1,1'-biphenyl]-4-carbonitrile
0054-0135 Screening compound: 4'-hydroxy-[1,1'-biphenyl]-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0135
4'-hydroxy-[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

0054-0135

Molecular Formula

C13H9NO (C13 H9 NO)

Compound Name

4'-hydroxy-[1,1'-biphenyl]-4-carbonitrile

IUPAC name

4'-hydroxy-[11'-biphenyl]-4-carbonitrile

SMILES

N#Cc(cc1)ccc1-c(cc1)ccc1O

InChI

InChI=1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H

InChI Key

ZRMIETZFPZGBEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00059625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.17

Polar Surface Area

34.640

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0054-0135 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 0054-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0135?
Check Price and Availability of 0054-0135, 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 0054-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0135
  • 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 0054-0135 available by request