6228-0628 Screening compound: 3-{[2-(prop-2-en-1-yl)phenoxy]methyl}benzoic acid

6228-0628 Screening compound: 3-{[2-(prop-2-en-1-yl)phenoxy]methyl}benzoic acid
6228-0628 Screening compound: 3-{[2-(prop-2-en-1-yl)phenoxy]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0628
3-{[2-(prop-2-en-1-yl)phenoxy]methyl}benzoic acid

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

6228-0628

Molecular Formula

C17H16O3 (C17 H16 O3)

Compound Name

3-{[2-(prop-2-en-1-yl)phenoxy]methyl}benzoic acid

IUPAC name

3-{[2-(prop-2-en-1-yl)phenoxy]methyl}benzoic acid

SMILES

C=CCc(cccc1)c1OCc1cccc(C(O)=O)c1

InChI

InChI=1S/C17H16O3/c1-2-6-14-8-3-4-10-16(14)20-12-13-7-5-9-15(11-13)17(18)19/h2-5,7-11H,1,6,12H2,(H,18,19)

InChI Key

KHBWACKDMZQJCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02975827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.506

Distribution Coefficient, logD

1.609

Water Solubility, LogSw

-4.56

Polar Surface Area

35.961

Acid Dissociation Constant (pKa)

4.50

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

6228-0628 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6228-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0628?
Check Price and Availability of 6228-0628, 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 6228-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0628
  • 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 6228-0628 available by request