0054-0120 Screening compound: 1-(4-propylphenyl)ethan-1-one

0054-0120 Screening compound: 1-(4-propylphenyl)ethan-1-one
0054-0120 Screening compound: 1-(4-propylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0120
1-(4-propylphenyl)ethan-1-one

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

0054-0120

Molecular Formula

C11H14O (C11 H14 O)

Compound Name

1-(4-propylphenyl)ethan-1-one

IUPAC name

1-(4-propylphenyl)ethan-1-one

SMILES

CCCc(cc1)ccc1C(C)=O

InChI

InChI=1S/C11H14O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3

InChI Key

ZNBVIYMIVFKTIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00041359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

162.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

3.137

Water Solubility, LogSw

-2.98

Polar Surface Area

14.065

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

0054-0120 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0054-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0120?
Check Price and Availability of 0054-0120, 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 0054-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0120
  • 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 0054-0120 available by request