F389-0747 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0747 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0747 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0747
(2E)-2-[(3-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)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

F389-0747

Molecular Formula

C25H21ClN2O5 (C25 H21 ClN2 O5)

Compound Name

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

IUPAC name

(2E)-2-[(3-chlorophenyl)methylidene]-N-[(24-dimethoxyphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

COc1cc(OC)c(CNC(c(cc2)cc(NC3=O)c2O/C3=C/c2cccc(Cl)c2)=O)cc1

InChI

InChI=1S/C25H21ClN2O5/c1-31-19-8-6-17(22(13-19)32-2)14-27-24(29)16-7-9-21-20(12-16)28-25(30)23(33-21)11-15-4-3-5-18(26)10-15/h3-13H,14H2,1-2H3,(H,27,29)(H,28,30)

InChI Key

LKDBNKMOAQMGEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.9

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

4.771

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-5.09

Polar Surface Area

72.395

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F389-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0747?
Check Price and Availability of F389-0747, 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 F389-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0747
  • 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 F389-0747 available by request