1222-0223 Screening compound: 1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene

1222-0223 Screening compound: 1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
1222-0223 Screening compound: 1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0223
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene

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

1222-0223

Molecular Formula

C20H22O (C20 H22 O)

Compound Name

1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene

IUPAC name

1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene

SMILES

CCCCCc(cc1)ccc1C#Cc(cc1)ccc1OC

InChI

InChI=1S/C20H22O/c1-3-4-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(21-2)16-14-19/h7-10,13-16H,3-6H2,1-2H3

InChI Key

ULPSMBQBIIZGAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00187208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.39

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.313

Distribution Coefficient, logD

7.313

Water Solubility, LogSw

-5.85

Polar Surface Area

7.511

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1222-0223 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Glucocorticoid receptors Library (4806 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1222-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0223?
Check Price and Availability of 1222-0223, 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 1222-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0223
  • 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 1222-0223 available by request