C312-0791 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

C312-0791 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
C312-0791 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0791
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2E)-2-[(4-chlorophenyl)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

C312-0791

Molecular Formula

C25H19ClN2O4S (C25 H19 ClN2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1S/C1=C/c(cc2)ccc2Cl)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H19ClN2O4S/c26-18-8-5-16(6-9-18)12-23-25(30)28(19-3-1-2-4-22(19)33-23)14-24(29)27-13-17-7-10-20-21(11-17)32-15-31-20/h1-12H,13-15H2,(H,27,29)

InChI Key

TVGOWTLQJLTOJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-5.73

Polar Surface Area

56.657

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C312-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0791?
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What is the minimum amount of C312-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0791
  • 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 C312-0791 available by request