F389-0554 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0554 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0554 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0554
(2Z)-2-[(2-chlorophenyl)methylidene]-N-{[4-(methylsulfanyl)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

F389-0554

Molecular Formula

C24H19ClN2O3S (C24 H19 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(CNC(c(cc2)cc(NC3=O)c2O/C3=C\c(cccc2)c2Cl)=O)cc1

InChI

InChI=1S/C24H19ClN2O3S/c1-31-18-9-6-15(7-10-18)14-26-23(28)17-8-11-21-20(12-17)27-24(29)22(30-21)13-16-4-2-3-5-19(16)25/h2-13H,14H2,1H3,(H,26,28)(H,27,29)

InChI Key

KGHQJKYOGABFGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.237

Distribution Coefficient, logD

5.237

Water Solubility, LogSw

-5.78

Polar Surface Area

57.221

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with F389-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0554?
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What is the minimum amount of F389-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0554
  • 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 F389-0554 available by request