C312-0226 Screening compound: 2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(4-methylphenyl)ethyl]acetamide

C312-0226 Screening compound: 2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(4-methylphenyl)ethyl]acetamide
C312-0226 Screening compound: 2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(4-methylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0226
2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(4-methylphenyl)ethyl]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

C312-0226

Molecular Formula

C26H23ClN2O2S (C26 H23 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CCNC(CN(c(cccc2)c2S/C2=C/c3cccc(Cl)c3)C2=O)=O)cc1

InChI

InChI=1S/C26H23ClN2O2S/c1-18-9-11-19(12-10-18)13-14-28-25(30)17-29-22-7-2-3-8-23(22)32-24(26(29)31)16-20-5-4-6-21(27)15-20/h2-12,15-16H,13-14,17H2,1H3,(H,28,30)

InChI Key

COMZEKSJQLNMJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.69

Polar Surface Area

39.383

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C312-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0226?
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What is the minimum amount of C312-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0226
  • 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 C312-0226 available by request