C312-0813 Screening compound: 2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclohexylacetamide

C312-0813 Screening compound: 2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclohexylacetamide
C312-0813 Screening compound: 2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0813
2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclohexylacetamide

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

C312-0813

Molecular Formula

C23H23ClN2O2S (C23 H23 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1S/C1=C/c(cc2)ccc2Cl)C1=O)NC1CCCCC1

InChI

InChI=1S/C23H23ClN2O2S/c24-17-12-10-16(11-13-17)14-21-23(28)26(19-8-4-5-9-20(19)29-21)15-22(27)25-18-6-2-1-3-7-18/h4-5,8-14,18H,1-3,6-7,15H2,(H,25,27)

InChI Key

AQWRYSFUVMBRGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.444

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-6.09

Polar Surface Area

39.266

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C312-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0813?
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What is the minimum amount of C312-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0813
  • 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 C312-0813 available by request