C312-0463 Screening compound: 2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(4-methylcyclohexyl)acetamide

C312-0463 Screening compound: 2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(4-methylcyclohexyl)acetamide
C312-0463 Screening compound: 2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(4-methylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0463
2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(4-methylcyclohexyl)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

C312-0463

Molecular Formula

C24H25FN2O2S (C24 H25 FN2 O2 S)

Compound Name

2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(4-methylcyclohexyl)acetamide

IUPAC name

2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-(4-methylcyclohexyl)acetamide

SMILES

CC(CC1)CCC1NC(CN(c(cccc1)c1S/C1=C\c(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C24H25FN2O2S/c1-16-10-12-18(13-11-16)26-23(28)15-27-20-8-4-5-9-21(20)30-22(24(27)29)14-17-6-2-3-7-19(17)25/h2-9,14,16,18H,10-13,15H2,1H3,(H,26,28)

InChI Key

LWBLLACHLYCPJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

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

5.854

Distribution Coefficient, logD

5.854

Water Solubility, LogSw

-5.50

Polar Surface Area

39.266

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C312-0463 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C312-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0463?
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What is the minimum amount of C312-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0463
  • 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 C312-0463 available by request