8016-7935 Screening compound: N-(tetrahydro-2-furanylmethyl)[2-(trifluoromethyl)phenyl]methanamine

8016-7935 Screening compound: N-(tetrahydro-2-furanylmethyl)[2-(trifluoromethyl)phenyl]methanamine
8016-7935 Screening compound: N-(tetrahydro-2-furanylmethyl)[2-(trifluoromethyl)phenyl]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7935
N-(tetrahydro-2-furanylmethyl)[2-(trifluoromethyl)phenyl]methanamine

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

8016-7935

Molecular Formula

C13H16F3NO (C13 H16 F3 NO)

Compound Name

N-(tetrahydro-2-furanylmethyl)[2-(trifluoromethyl)phenyl]methanamine

IUPAC name

[(oxolan-2-yl)methyl]({[2-(trifluoromethyl)phenyl]methyl})amine

SMILES

FC(c1c(CNCC2OCCC2)cccc1)(F)F

InChI

InChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-2,4,6,11,17H,3,5,7-9H2/t11-/m1/s1

InChI Key

QMVUFIUACWHVEH-LLVKDONJSA-N

MDL Number (MFCD)

MFCD05859246

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

259.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.401

Water Solubility, LogSw

-2.89

Polar Surface Area

20.659

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

8016-7935 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-7935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7935?
Check Price and Availability of 8016-7935, 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 8016-7935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7935
  • 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 8016-7935 available by request