8011-8572 Screening compound: 5-bromo-N-[2-(phenylsulfanyl)ethyl]pyridine-3-carboxamide

8011-8572 Screening compound: 5-bromo-N-[2-(phenylsulfanyl)ethyl]pyridine-3-carboxamide
8011-8572 Screening compound: 5-bromo-N-[2-(phenylsulfanyl)ethyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8572
5-bromo-N-[2-(phenylsulfanyl)ethyl]pyridine-3-carboxamide

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

8011-8572

Molecular Formula

C14H13BrN2OS (C14 H13 BrN2 OS)

Compound Name

5-bromo-N-[2-(phenylsulfanyl)ethyl]pyridine-3-carboxamide

IUPAC name

5-bromo-N-[2-(phenylsulfanyl)ethyl]pyridine-3-carboxamide

SMILES

O=C(c1cc(Br)cnc1)NCCSc1ccccc1

InChI

InChI=1S/C14H13BrN2OS/c15-12-8-11(9-16-10-12)14(18)17-6-7-19-13-4-2-1-3-5-13/h1-5,8-10H,6-7H2,(H,17,18)

InChI Key

GCEQPUDOLRLYRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02853016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.30

Polar Surface Area

34.101

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8011-8572 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8011-8572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8572?
Check Price and Availability of 8011-8572, 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 8011-8572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8572
  • 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 8011-8572 available by request