F119-0814 Screening compound: 4-[(4-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

F119-0814 Screening compound: 4-[(4-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
F119-0814 Screening compound: 4-[(4-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F119-0814
4-[(4-methylphenyl)methyl]-6-(4-methylpiperazine-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

F119-0814

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

4-[(4-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-[(4-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc1ccc(CN2c(cc(cc3)C(N4CCN(C)CC4)=O)c3OCC2=O)cc1

InChI

InChI=1S/C22H25N3O3/c1-16-3-5-17(6-4-16)14-25-19-13-18(7-8-20(19)28-15-21(25)26)22(27)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14-15H2,1-2H3

InChI Key

RNLLVZOUSQUVNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.788

Water Solubility, LogSw

-2.53

Polar Surface Area

44.193

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F119-0814 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F119-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F119-0814?
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What is the minimum amount of F119-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F119-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F119-0814
  • 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 F119-0814 available by request