7218-1581 Screening compound: 6-(benzylsulfanyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-5-yl cyanide

7218-1581 Screening compound: 6-(benzylsulfanyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-5-yl cyanide
7218-1581 Screening compound: 6-(benzylsulfanyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7218-1581
6-(benzylsulfanyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-5-yl cyanide

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

7218-1581

Molecular Formula

C12H10N2OS2 (C12 H10 N2 OS2)

Compound Name

6-(benzylsulfanyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-5-yl cyanide

IUPAC name

6-(benzylsulfanyl)-4-oxo-34-dihydro-2H-13-thiazine-5-carbonitrile

SMILES

N#CC1=C(SCc2ccccc2)SCNC1=O

InChI

InChI=1S/C12H10N2OS2/c13-6-10-11(15)14-8-17-12(10)16-7-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,14,15)

InChI Key

SGDMIWVCZHFBKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03696390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.238

Distribution Coefficient, logD

2.238

Water Solubility, LogSw

-2.48

Polar Surface Area

43.051

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

7218-1581 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7218-1581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7218-1581?
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What is the minimum amount of 7218-1581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7218-1581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7218-1581
  • 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 7218-1581 available by request