F217-0401 Screening compound: 4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide

F217-0401 Screening compound: 4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
F217-0401 Screening compound: 4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F217-0401
4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide

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

F217-0401

Molecular Formula

C25H21F4NO3 (C25 H21 F4 NO3)

Compound Name

4-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide

IUPAC name

4-{[(22-dimethyl-23-dihydro-1-benzofuran-7-yl)oxy]methyl}-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide

SMILES

CC(C)(Cc1ccc2)Oc1c2OCc(cc1)ccc1C(Nc(cc1)cc(C(F)(F)F)c1F)=O

InChI

InChI=1S/C25H21F4NO3/c1-24(2)13-17-4-3-5-21(22(17)33-24)32-14-15-6-8-16(9-7-15)23(31)30-18-10-11-20(26)19(12-18)25(27,28)29/h3-12H,13-14H2,1-2H3,(H,30,31)

InChI Key

WIXOPQBALNCAHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.188

Distribution Coefficient, logD

5.574

Water Solubility, LogSw

-5.58

Polar Surface Area

37.027

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

F217-0401 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with F217-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F217-0401?
Check Price and Availability of F217-0401, 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 F217-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F217-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F217-0401
  • 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 F217-0401 available by request