C312-0444 Screening compound: N-cyclooctyl-2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

C312-0444 Screening compound: N-cyclooctyl-2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
C312-0444 Screening compound: N-cyclooctyl-2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0444
N-cyclooctyl-2-[(2Z)-2-[(2-fluorophenyl)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

C312-0444

Molecular Formula

C25H27FN2O2S (C25 H27 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1S/C1=C\c(cccc2)c2F)C1=O)NC1CCCCCCC1

InChI

InChI=1S/C25H27FN2O2S/c26-20-13-7-6-10-18(20)16-23-25(30)28(21-14-8-9-15-22(21)31-23)17-24(29)27-19-11-4-2-1-3-5-12-19/h6-10,13-16,19H,1-5,11-12,17H2,(H,27,29)

InChI Key

AJSSTGRINUNTRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

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

6.038

Distribution Coefficient, logD

6.038

Water Solubility, LogSw

-5.75

Polar Surface Area

39.597

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C312-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0444?
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What is the minimum amount of C312-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0444
  • 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 C312-0444 available by request