C312-0796 Screening compound: 2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(morpholin-4-yl)propyl]acetamide

C312-0796 Screening compound: 2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(morpholin-4-yl)propyl]acetamide
C312-0796 Screening compound: 2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(morpholin-4-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0796
2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(morpholin-4-yl)propyl]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

C312-0796

Molecular Formula

C24H26ClN3O3S (C24 H26 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1S/C1=C/c(cc2)ccc2Cl)C1=O)NCCCN1CCOCC1

InChI

InChI=1S/C24H26ClN3O3S/c25-19-8-6-18(7-9-19)16-22-24(30)28(20-4-1-2-5-21(20)32-22)17-23(29)26-10-3-11-27-12-14-31-15-13-27/h1-2,4-9,16H,3,10-15,17H2,(H,26,29)

InChI Key

RAWVNVNWMKWUDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-3.90

Polar Surface Area

51.274

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C312-0796 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 C312-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0796
  • 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 C312-0796 available by request