3702-1158 Screening compound: [(2-methoxyphenyl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amine

3702-1158 Screening compound: [(2-methoxyphenyl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amine
3702-1158 Screening compound: [(2-methoxyphenyl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3702-1158
[(2-methoxyphenyl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amine

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

3702-1158

Molecular Formula

C16H16F3NO (C16 H16 F3 NO)

Compound Name

[(2-methoxyphenyl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amine

IUPAC name

[(2-methoxyphenyl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amine

SMILES

COc1c(CNCc2ccc(C(F)(F)F)cc2)cccc1

InChI

InChI=1S/C16H16F3NO/c1-21-15-5-3-2-4-13(15)11-20-10-12-6-8-14(9-7-12)16(17,18)19/h2-9,20H,10-11H2,1H3

InChI Key

NPKYDDLUMDIRLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01135110

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

295.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

2.003

Water Solubility, LogSw

-4.20

Polar Surface Area

19.635

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3702-1158 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3702-1158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3702-1158?
Check Price and Availability of 3702-1158, 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 3702-1158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3702-1158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3702-1158
  • 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 3702-1158 available by request