F119-0786 Screening compound: 4-[(4-methylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F119-0786 Screening compound: 4-[(4-methylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F119-0786 Screening compound: 4-[(4-methylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F119-0786
4-[(4-methylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-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

F119-0786

Molecular Formula

C26H26N2O3 (C26 H26 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN2c(cc(cc3)C(NCCCc4ccccc4)=O)c3OCC2=O)cc1

InChI

InChI=1S/C26H26N2O3/c1-19-9-11-21(12-10-19)17-28-23-16-22(13-14-24(23)31-18-25(28)29)26(30)27-15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,16H,5,8,15,17-18H2,1H3,(H,27,30)

InChI Key

KPIPAYZDEYPUTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.680

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.41

Polar Surface Area

48.323

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with F119-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F119-0786?
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What is the minimum amount of F119-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F119-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F119-0786
  • 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 F119-0786 available by request