K417-0156 Screening compound: 3-benzyl-5-ethyl-1,3,5-thiadiazinane-2-thione

K417-0156 Screening compound: 3-benzyl-5-ethyl-1,3,5-thiadiazinane-2-thione
K417-0156 Screening compound: 3-benzyl-5-ethyl-1,3,5-thiadiazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K417-0156
3-benzyl-5-ethyl-1,3,5-thiadiazinane-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

K417-0156

Molecular Formula

C12H16N2S2 (C12 H16 N2 S2)

Compound Name

3-benzyl-5-ethyl-1,3,5-thiadiazinane-2-thione

IUPAC name

3-benzyl-5-ethyl-135-thiadiazinane-2-thione

SMILES

CCN(CN1Cc2ccccc2)CSC1=S

InChI

InChI=1S/C12H16N2S2/c1-2-13-9-14(12(15)16-10-13)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3

InChI Key

DJCAGMWMFPMXHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01681897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-2.88

Polar Surface Area

8.073

Acid Dissociation Constant (pKa)

29.75

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K417-0156 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K417-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K417-0156?
Check Price and Availability of K417-0156, 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 K417-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K417-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K417-0156
  • 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 K417-0156 available by request