F119-0077 Screening compound: 4-benzyl-N-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F119-0077 Screening compound: 4-benzyl-N-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F119-0077 Screening compound: 4-benzyl-N-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F119-0077
4-benzyl-N-[(3-methylphenyl)methyl]-3-oxo-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

F119-0077

Molecular Formula

C24H22N2O3 (C24 H22 N2 O3)

Compound Name

4-benzyl-N-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

4-benzyl-N-[(3-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

Cc1cccc(CNC(c(cc2)cc(N3Cc4ccccc4)c2OCC3=O)=O)c1

InChI

InChI=1S/C24H22N2O3/c1-17-6-5-9-19(12-17)14-25-24(28)20-10-11-22-21(13-20)26(23(27)16-29-22)15-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3,(H,25,28)

InChI Key

APIBBKNKULHYCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.16

Polar Surface Area

48.482

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F119-0077 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F119-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F119-0077?
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What is the minimum amount of F119-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F119-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F119-0077
  • 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 F119-0077 available by request