C312-0630 Screening compound: (2E)-2-[(4-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

C312-0630 Screening compound: (2E)-2-[(4-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
C312-0630 Screening compound: (2E)-2-[(4-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0630
(2E)-2-[(4-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

C312-0630

Molecular Formula

C27H26N4O2S (C27 H26 N4 O2 S)

Compound Name

(2E)-2-[(4-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-2-[(4-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

Cc1ccc(/C=C2/Sc(cccc3)c3N(CC(N(CC3)CCN3c3ncccc3)=O)C2=O)cc1

InChI

InChI=1S/C27H26N4O2S/c1-20-9-11-21(12-10-20)18-24-27(33)31(22-6-2-3-7-23(22)34-24)19-26(32)30-16-14-29(15-17-30)25-8-4-5-13-28-25/h2-13,18H,14-17,19H2,1H3

InChI Key

ARVBLMPUFUQMPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.38

Polar Surface Area

43.234

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with C312-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0630
  • 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 C312-0630 available by request