F389-0948 Screening compound: (2Z)-N-[(2,5-dimethoxyphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0948 Screening compound: (2Z)-N-[(2,5-dimethoxyphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0948 Screening compound: (2Z)-N-[(2,5-dimethoxyphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0948
(2Z)-N-[(2,5-dimethoxyphenyl)methyl]-3-oxo-2-(phenylmethylidene)-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

F389-0948

Molecular Formula

C25H22N2O5 (C25 H22 N2 O5)

Compound Name

(2Z)-N-[(2,5-dimethoxyphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

(2Z)-N-[(25-dimethoxyphenyl)methyl]-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

COc(cc1)cc(CNC(c(cc2)cc(NC3=O)c2O/C3=C\c2ccccc2)=O)c1OC

InChI

InChI=1S/C25H22N2O5/c1-30-19-9-11-21(31-2)18(13-19)15-26-24(28)17-8-10-22-20(14-17)27-25(29)23(32-22)12-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)

InChI Key

HDTUWZFVAMCRCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.48

Polar Surface Area

72.395

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F389-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0948?
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What is the minimum amount of F389-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0948
  • 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 F389-0948 available by request