F850-1159 Screening compound: 2-{4-[(4-fluorophenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one

F850-1159 Screening compound: 2-{4-[(4-fluorophenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one
F850-1159 Screening compound: 2-{4-[(4-fluorophenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F850-1159
2-{4-[(4-fluorophenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one

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

F850-1159

Molecular Formula

C24H29FN2O2 (C24 H29 FN2 O2)

Compound Name

2-{4-[(4-fluorophenyl)methyl]-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-{4-[(4-fluorophenyl)methyl]-7-methyl-34-dihydro-2H-14-benzoxazin-3-yl}-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(CC1N(Cc(cc2)ccc2F)c(ccc(C)c2)c2OC1)=O

InChI

InChI=1S/C24H29FN2O2/c1-17-9-11-26(12-10-17)24(28)14-21-16-29-23-13-18(2)3-8-22(23)27(21)15-19-4-6-20(25)7-5-19/h3-8,13,17,21H,9-12,14-16H2,1-2H3/t21-/m0/s1

InChI Key

KDWWKHHXVSXSER-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27199827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.35

Polar Surface Area

26.837

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

F850-1159 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 F850-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F850-1159?
Check Price and Availability of F850-1159, 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 F850-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F850-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F850-1159
  • 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 F850-1159 available by request