F389-0559 Screening compound: (2E)-2-[(2-chlorophenyl)methylidene]-N-{[4-(dimethylamino)phenyl]methyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0559 Screening compound: (2E)-2-[(2-chlorophenyl)methylidene]-N-{[4-(dimethylamino)phenyl]methyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0559 Screening compound: (2E)-2-[(2-chlorophenyl)methylidene]-N-{[4-(dimethylamino)phenyl]methyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0559
(2E)-2-[(2-chlorophenyl)methylidene]-N-{[4-(dimethylamino)phenyl]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

F389-0559

Molecular Formula

C25H22ClN3O3 (C25 H22 ClN3 O3)

Compound Name

(2E)-2-[(2-chlorophenyl)methylidene]-N-{[4-(dimethylamino)phenyl]methyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

(2E)-2-[(2-chlorophenyl)methylidene]-N-{[4-(dimethylamino)phenyl]methyl}-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

CN(C)c1ccc(CNC(c(cc2)cc(NC3=O)c2O/C3=C/c(cccc2)c2Cl)=O)cc1

InChI

InChI=1S/C25H22ClN3O3/c1-29(2)19-10-7-16(8-11-19)15-27-24(30)18-9-12-22-21(13-18)28-25(31)23(32-22)14-17-5-3-4-6-20(17)26/h3-14H,15H2,1-2H3,(H,27,30)(H,28,31)

InChI Key

QLWIJQLSTMCMJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

4.592

Water Solubility, LogSw

-4.79

Polar Surface Area

60.026

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F389-0559 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F389-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0559?
Check Price and Availability of F389-0559, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F389-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0559
  • 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 F389-0559 available by request