8012-7791 Screening compound: 2-methoxy-4-[(phenethylamino)methyl]phenol

8012-7791 Screening compound: 2-methoxy-4-[(phenethylamino)methyl]phenol
8012-7791 Screening compound: 2-methoxy-4-[(phenethylamino)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7791
2-methoxy-4-[(phenethylamino)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

8012-7791

Molecular Formula

C16H19NO2 (C16 H19 NO2)

Compound Name

2-methoxy-4-[(phenethylamino)methyl]phenol

IUPAC name

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

SMILES

COc(cc(CNCCc1ccccc1)cc1)c1O

InChI

InChI=1S/C16H19NO2/c1-19-16-11-14(7-8-15(16)18)12-17-10-9-13-5-3-2-4-6-13/h2-8,11,17-18H,9-10,12H2,1H3

InChI Key

MTAGFKXNJKRAKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133511

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

257.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

-0.946

Water Solubility, LogSw

-2.03

Polar Surface Area

36.024

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8012-7791 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-7791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7791?
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What is the minimum amount of 8012-7791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7791
  • 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 8012-7791 available by request