8016-5547 Screening compound: 2-[(3,4-dimethylphenoxy)methyl]benzoic acid

8016-5547 Screening compound: 2-[(3,4-dimethylphenoxy)methyl]benzoic acid
8016-5547 Screening compound: 2-[(3,4-dimethylphenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5547
2-[(3,4-dimethylphenoxy)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

8016-5547

Molecular Formula

C16H16O3 (C16 H16 O3)

Compound Name

2-[(3,4-dimethylphenoxy)methyl]benzoic acid

IUPAC name

2-[(34-dimethylphenoxy)methyl]benzoic acid

SMILES

Cc(cc1)c(C)cc1OCc(cccc1)c1C(O)=O

InChI

InChI=1S/C16H16O3/c1-11-7-8-14(9-12(11)2)19-10-13-5-3-4-6-15(13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)

InChI Key

RSUJHHWCAZHBFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

0.172

Water Solubility, LogSw

-4.25

Polar Surface Area

35.874

Acid Dissociation Constant (pKa)

3.30

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8016-5547 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-5547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5547?
Check Price and Availability of 8016-5547, 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 8016-5547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5547
  • 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 8016-5547 available by request