F389-0750 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-N-[(4-ethoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0750 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-N-[(4-ethoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0750 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-N-[(4-ethoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0750
(2E)-2-[(3-chlorophenyl)methylidene]-N-[(4-ethoxyphenyl)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

F389-0750

Molecular Formula

C25H21ClN2O4 (C25 H21 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CNC(c(cc2)cc(NC3=O)c2O/C3=C/c2cccc(Cl)c2)=O)cc1

InChI

InChI=1S/C25H21ClN2O4/c1-2-31-20-9-6-16(7-10-20)15-27-24(29)18-8-11-22-21(14-18)28-25(30)23(32-22)13-17-4-3-5-19(26)12-17/h3-14H,2,15H2,1H3,(H,27,29)(H,28,30)

InChI Key

NQDZUVDIWDFEIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-5.14

Polar Surface Area

64.345

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 F389-0750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0750?
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What is the minimum amount of F389-0750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0750
  • 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 F389-0750 available by request