7218-1421 Screening compound: 6-(butylsulfanyl)-2-(hydroxymethyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile

7218-1421 Screening compound: 6-(butylsulfanyl)-2-(hydroxymethyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
7218-1421 Screening compound: 6-(butylsulfanyl)-2-(hydroxymethyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7218-1421
6-(butylsulfanyl)-2-(hydroxymethyl)-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

7218-1421

Molecular Formula

C10H14N2O2S2 (C10 H14 N2 O2 S2)

Compound Name

6-(butylsulfanyl)-2-(hydroxymethyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile

IUPAC name

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

SMILES

CCCCSC(SC(CO)NC1=O)=C1C#N

InChI

InChI=1S/C10H14N2O2S2/c1-2-3-4-15-10-7(5-11)9(14)12-8(6-13)16-10/h8,13H,2-4,6H2,1H3,(H,12,14)/t8-/m0/s1

InChI Key

ABADAMWKQXHURG-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD14712413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.18

Polar Surface Area

59.355

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

7218-1421 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7218-1421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7218-1421?
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What is the minimum amount of 7218-1421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7218-1421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7218-1421
  • 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 7218-1421 available by request