Y010-0098 Screening compound: 6-methyl-4-(4-methylbenzenesulfonyl)-1,3-thiazinane-2-thione

Y010-0098 Screening compound: 6-methyl-4-(4-methylbenzenesulfonyl)-1,3-thiazinane-2-thione
Y010-0098 Screening compound: 6-methyl-4-(4-methylbenzenesulfonyl)-1,3-thiazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0098
6-methyl-4-(4-methylbenzenesulfonyl)-1,3-thiazinane-2-thione

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

Y010-0098

Molecular Formula

C12H15NO2S3 (C12 H15 NO2 S3)

Compound Name

6-methyl-4-(4-methylbenzenesulfonyl)-1,3-thiazinane-2-thione

IUPAC name

6-methyl-4-(4-methylbenzenesulfonyl)-13-thiazinane-2-thione

SMILES

CC(CC(N1)S(c2ccc(C)cc2)(=O)=O)SC1=S

InChI

InChI=1S/C12H15NO2S3/c1-8-3-5-10(6-4-8)18(14,15)11-7-9(2)17-12(16)13-11/h3-6,9,11H,7H2,1-2H3,(H,13,16)

InChI Key

WUBBEHMCGUXYRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06244828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-3.46

Polar Surface Area

39.934

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

Y010-0098 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y010-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0098?
Check Price and Availability of Y010-0098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y010-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0098
  • 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 Y010-0098 available by request