C312-0993 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide

C312-0993 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
C312-0993 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0993
2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(2,2-dimethoxyethyl)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

C312-0993

Molecular Formula

C21H21ClN2O4S (C21 H21 ClN2 O4 S)

Compound Name

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

IUPAC name

2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-(22-dimethoxyethyl)acetamide

SMILES

COC(CNC(CN(c(cccc1)c1S/C1=C/c(cccc2)c2Cl)C1=O)=O)OC

InChI

InChI=1S/C21H21ClN2O4S/c1-27-20(28-2)12-23-19(25)13-24-16-9-5-6-10-17(16)29-18(21(24)26)11-14-7-3-4-8-15(14)22/h3-11,20H,12-13H2,1-2H3,(H,23,25)

InChI Key

QACZJLMLYWMZFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.93

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

3.176

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-3.44

Polar Surface Area

55.307

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C312-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0993?
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What is the minimum amount of C312-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0993
  • 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 C312-0993 available by request