8011-9485 Screening compound: 4,6-dimethyl-2-(methylsulfanyl)nicotinamide

8011-9485 Screening compound: 4,6-dimethyl-2-(methylsulfanyl)nicotinamide
8011-9485 Screening compound: 4,6-dimethyl-2-(methylsulfanyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9485
4,6-dimethyl-2-(methylsulfanyl)nicotinamide

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

8011-9485

Molecular Formula

C9H12N2OS (C9 H12 N2 OS)

Compound Name

4,6-dimethyl-2-(methylsulfanyl)nicotinamide

IUPAC name

46-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide

SMILES

Cc1c(C(N)=O)c(SC)nc(C)c1

InChI

InChI=1S/C9H12N2OS/c1-5-4-6(2)11-9(13-3)7(5)8(10)12/h4H,1-3H3,(H2,10,12)

InChI Key

JKBHMOUWFBUCBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.671

Distribution Coefficient, logD

0.671

Water Solubility, LogSw

-1.64

Polar Surface Area

42.851

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8011-9485 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8011-9485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9485?
Check Price and Availability of 8011-9485, 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 8011-9485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9485
  • 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 8011-9485 available by request