C306-0517 Screening compound: N-cyclohexyl-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

C306-0517 Screening compound: N-cyclohexyl-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide
C306-0517 Screening compound: N-cyclohexyl-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C306-0517
N-cyclohexyl-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]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

C306-0517

Molecular Formula

C16H18N2O2S (C16 H18 N2 O2 S)

Compound Name

N-cyclohexyl-2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

IUPAC name

N-cyclohexyl-2-[(2Z)-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]acetamide

SMILES

O=C(/C=C1\Sc(cccc2)c2NC1=O)NC1CCCCC1

InChI

InChI=1S/C16H18N2O2S/c19-15(17-11-6-2-1-3-7-11)10-14-16(20)18-12-8-4-5-9-13(12)21-14/h4-5,8-11H,1-3,6-7H2,(H,17,19)(H,18,20)

InChI Key

QOPWGJXDHIYGCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-3.36

Polar Surface Area

49.041

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C306-0517 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C306-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C306-0517?
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What is the minimum amount of C306-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C306-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C306-0517
  • 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 C306-0517 available by request