F119-0050 Screening compound: 4-benzyl-6-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

F119-0050 Screening compound: 4-benzyl-6-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
F119-0050 Screening compound: 4-benzyl-6-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F119-0050
4-benzyl-6-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-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

F119-0050

Molecular Formula

C26H25N3O3 (C26 H25 N3 O3)

Compound Name

4-benzyl-6-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-benzyl-6-(4-phenylpiperazine-1-carbonyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(c(cc1)cc(N2Cc3ccccc3)c1OCC2=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C26H25N3O3/c30-25-19-32-24-12-11-21(17-23(24)29(25)18-20-7-3-1-4-8-20)26(31)28-15-13-27(14-16-28)22-9-5-2-6-10-22/h1-12,17H,13-16,18-19H2

InChI Key

ROERTMUSZOCZJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.58

Polar Surface Area

43.977

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F119-0050 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F119-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F119-0050?
Check Price and Availability of F119-0050, 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 F119-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F119-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F119-0050
  • 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 F119-0050 available by request