F850-5311 Screening compound: 2-{7-fluoro-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-[(furan-2-yl)methyl]acetamide

F850-5311 Screening compound: 2-{7-fluoro-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-[(furan-2-yl)methyl]acetamide
F850-5311 Screening compound: 2-{7-fluoro-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F850-5311
2-{7-fluoro-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-[(furan-2-yl)methyl]acetamide

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

F850-5311

Molecular Formula

C23H23FN2O3 (C23 H23 FN2 O3)

Compound Name

2-{7-fluoro-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-{7-fluoro-4-[(4-methylphenyl)methyl]-34-dihydro-2H-14-benzoxazin-3-yl}-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc1ccc(CN2c(ccc(F)c3)c3OCC2CC(NCc2ccco2)=O)cc1

InChI

InChI=1S/C23H23FN2O3/c1-16-4-6-17(7-5-16)14-26-19(12-23(27)25-13-20-3-2-10-28-20)15-29-22-11-18(24)8-9-21(22)26/h2-11,19H,12-15H2,1H3,(H,25,27)/t19-/m1/s1

InChI Key

NLNFROWQGPNJRA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27199981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.385

Water Solubility, LogSw

-4.31

Polar Surface Area

42.665

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

F850-5311 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F850-5311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F850-5311?
Check Price and Availability of F850-5311, 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 F850-5311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F850-5311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F850-5311
  • 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 F850-5311 available by request