K417-0158 Screening compound: 3-benzyl-5-tert-butyl-1,3,5-thiadiazinane-2-thione

K417-0158 Screening compound: 3-benzyl-5-tert-butyl-1,3,5-thiadiazinane-2-thione
K417-0158 Screening compound: 3-benzyl-5-tert-butyl-1,3,5-thiadiazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K417-0158
3-benzyl-5-tert-butyl-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

K417-0158

Molecular Formula

C14H20N2S2 (C14 H20 N2 S2)

Compound Name

3-benzyl-5-tert-butyl-1,3,5-thiadiazinane-2-thione

IUPAC name

3-benzyl-5-tert-butyl-135-thiadiazinane-2-thione

SMILES

CC(C)(C)N(CN1Cc2ccccc2)CSC1=S

InChI

InChI=1S/C14H20N2S2/c1-14(2,3)16-10-15(13(17)18-11-16)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3

InChI Key

INUJTAJCTGFIRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.46

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

3.918

Distribution Coefficient, logD

3.916

Water Solubility, LogSw

-3.99

Polar Surface Area

8.763

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K417-0158 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 K417-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K417-0158?
Check Price and Availability of K417-0158, 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 K417-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K417-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K417-0158
  • 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 K417-0158 available by request