C312-0548 Screening compound: N-[(furan-2-yl)methyl]-2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

C312-0548 Screening compound: N-[(furan-2-yl)methyl]-2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
C312-0548 Screening compound: N-[(furan-2-yl)methyl]-2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0548
N-[(furan-2-yl)methyl]-2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

C312-0548

Molecular Formula

C23H20N2O3S (C23 H20 N2 O3 S)

Compound Name

N-[(furan-2-yl)methyl]-2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

Cc1ccc(/C=C2/Sc(cccc3)c3N(CC(NCc3ccco3)=O)C2=O)cc1

InChI

InChI=1S/C23H20N2O3S/c1-16-8-10-17(11-9-16)13-21-23(27)25(19-6-2-3-7-20(19)29-21)15-22(26)24-14-18-5-4-12-28-18/h2-13H,14-15H2,1H3,(H,24,26)

InChI Key

QRZCMGOHNCEEBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-4.47

Polar Surface Area

47.290

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with C312-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0548?
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What is the minimum amount of C312-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0548
  • 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 C312-0548 available by request