6781-0033 Screening compound: 2-(benzylsulfanyl)-4-methylquinoline

6781-0033 Screening compound: 2-(benzylsulfanyl)-4-methylquinoline
6781-0033 Screening compound: 2-(benzylsulfanyl)-4-methylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6781-0033
2-(benzylsulfanyl)-4-methylquinoline

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

6781-0033

Molecular Formula

C17H15NS (C17 H15 NS)

Compound Name

2-(benzylsulfanyl)-4-methylquinoline

IUPAC name

2-(benzylsulfanyl)-4-methylquinoline

SMILES

Cc1cc(SCc2ccccc2)nc2ccccc12

InChI

InChI=1S/C17H15NS/c1-13-11-17(18-16-10-6-5-9-15(13)16)19-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3

InChI Key

QQDQFUURSZIVIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02070402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.76

Polar Surface Area

7.659

Acid Dissociation Constant (pKa)

25.34

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

6781-0033 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 6781-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6781-0033?
Check Price and Availability of 6781-0033, 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 6781-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6781-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6781-0033
  • 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 6781-0033 available by request