5539-0068 Screening compound: 2-methoxy-4-{[(4-methylphenyl)amino]methyl}phenol

5539-0068 Screening compound: 2-methoxy-4-{[(4-methylphenyl)amino]methyl}phenol
5539-0068 Screening compound: 2-methoxy-4-{[(4-methylphenyl)amino]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5539-0068
2-methoxy-4-{[(4-methylphenyl)amino]methyl}phenol

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

5539-0068

Molecular Formula

C15H17NO2 (C15 H17 NO2)

Compound Name

2-methoxy-4-{[(4-methylphenyl)amino]methyl}phenol

IUPAC name

2-methoxy-4-{[(4-methylphenyl)amino]methyl}phenol

SMILES

Cc(cc1)ccc1NCc(cc1)cc(OC)c1O

InChI

InChI=1S/C15H17NO2/c1-11-3-6-13(7-4-11)16-10-12-5-8-14(17)15(9-12)18-2/h3-9,16-17H,10H2,1-2H3

InChI Key

DUDODTYBAZRSSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-2.87

Polar Surface Area

34.651

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5539-0068 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5539-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5539-0068?
Check Price and Availability of 5539-0068, 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 5539-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5539-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5539-0068
  • 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 5539-0068 available by request