F119-0890 Screening compound: 4-[(4-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F119-0890 Screening compound: 4-[(4-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F119-0890 Screening compound: 4-[(4-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F119-0890
4-[(4-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

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

F119-0890

Molecular Formula

C22H18FN3O3 (C22 H18 FN3 O3)

Compound Name

4-[(4-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

4-[(4-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc(cc3)ccc3F)c1OCC2=O)NCc1ncccc1

InChI

InChI=1S/C22H18FN3O3/c23-17-7-4-15(5-8-17)13-26-19-11-16(6-9-20(19)29-14-21(26)27)22(28)25-12-18-3-1-2-10-24-18/h1-11H,12-14H2,(H,25,28)

InChI Key

OPDOFGCADJLDFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-2.90

Polar Surface Area

58.025

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F119-0890 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with F119-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F119-0890?
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What is the minimum amount of F119-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F119-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F119-0890
  • 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 F119-0890 available by request