7218-1497 Screening compound: 6-(ethylsulfanyl)-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile

7218-1497 Screening compound: 6-(ethylsulfanyl)-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
7218-1497 Screening compound: 6-(ethylsulfanyl)-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7218-1497
6-(ethylsulfanyl)-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile

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

7218-1497

Molecular Formula

C14H14N2O3S2 (C14 H14 N2 O3 S2)

Compound Name

6-(ethylsulfanyl)-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile

IUPAC name

6-(ethylsulfanyl)-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-34-dihydro-2H-13-thiazine-5-carbonitrile

SMILES

CCSC(SC(c(cc1)cc(OC)c1O)NC1=O)=C1C#N

InChI

InChI=1S/C14H14N2O3S2/c1-3-20-14-9(7-15)12(18)16-13(21-14)8-4-5-10(17)11(6-8)19-2/h4-6,13,17H,3H2,1-2H3,(H,16,18)/t13-/m0/s1

InChI Key

ZSMJOHJXOUUIRY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03067872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-2.62

Polar Surface Area

66.041

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

7218-1497 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7218-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7218-1497?
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What is the minimum amount of 7218-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7218-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7218-1497
  • 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 7218-1497 available by request