C312-0891 Screening compound: 2-[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(oxolan-2-yl)methyl]acetamide

C312-0891 Screening compound: 2-[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(oxolan-2-yl)methyl]acetamide
C312-0891 Screening compound: 2-[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0891
2-[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(oxolan-2-yl)methyl]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

C312-0891

Molecular Formula

C23H24N2O3S (C23 H24 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(/C=C2\Sc(cccc3)c3N(CC(NCC3OCCC3)=O)C2=O)cccc1

InChI

InChI=1S/C23H24N2O3S/c1-16-7-2-3-8-17(16)13-21-23(27)25(19-10-4-5-11-20(19)29-21)15-22(26)24-14-18-9-6-12-28-18/h2-5,7-8,10-11,13,18H,6,9,12,14-15H2,1H3,(H,24,26)/t18-/m1/s1

InChI Key

AGLXJXVVIZOLPW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14748093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.52

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

3.544

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.75

Polar Surface Area

48.195

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C312-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0891
  • 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 C312-0891 available by request