1216-0005 Screening compound: 2-(4-ethoxyphenyl)-1-(4-pentylphenyl)ethan-1-one

1216-0005 Screening compound: 2-(4-ethoxyphenyl)-1-(4-pentylphenyl)ethan-1-one
1216-0005 Screening compound: 2-(4-ethoxyphenyl)-1-(4-pentylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1216-0005
2-(4-ethoxyphenyl)-1-(4-pentylphenyl)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

1216-0005

Molecular Formula

C21H26O2 (C21 H26 O2)

Compound Name

2-(4-ethoxyphenyl)-1-(4-pentylphenyl)ethan-1-one

IUPAC name

2-(4-ethoxyphenyl)-1-(4-pentylphenyl)ethan-1-one

SMILES

CCCCCc(cc1)ccc1C(Cc(cc1)ccc1OCC)=O

InChI

InChI=1S/C21H26O2/c1-3-5-6-7-17-8-12-19(13-9-17)21(22)16-18-10-14-20(15-11-18)23-4-2/h8-15H,3-7,16H2,1-2H3

InChI Key

UOQXUPFVOSLQFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.953

Distribution Coefficient, logD

5.953

Water Solubility, LogSw

-5.33

Polar Surface Area

20.337

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

1216-0005 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1216-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1216-0005?
Check Price and Availability of 1216-0005, 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 1216-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1216-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1216-0005
  • 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 1216-0005 available by request