3343-3679 Screening compound: 1-ethyl-6-methoxy-1,2-dihydroquinoline-2-thione

3343-3679 Screening compound: 1-ethyl-6-methoxy-1,2-dihydroquinoline-2-thione
3343-3679 Screening compound: 1-ethyl-6-methoxy-1,2-dihydroquinoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-3679
1-ethyl-6-methoxy-1,2-dihydroquinoline-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

3343-3679

Molecular Formula

C12H13NOS (C12 H13 NOS)

Compound Name

1-ethyl-6-methoxy-1,2-dihydroquinoline-2-thione

IUPAC name

1-ethyl-6-methoxy-12-dihydroquinoline-2-thione

SMILES

CCN(c(cc1)c(C=C2)cc1OC)C2=S

InChI

InChI=1S/C12H13NOS/c1-3-13-11-6-5-10(14-2)8-9(11)4-7-12(13)15/h4-8H,3H2,1-2H3

InChI Key

XTCNECLGISWWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00509095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.51

Polar Surface Area

9.830

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3343-3679 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3343-3679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-3679?
Check Price and Availability of 3343-3679, 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 3343-3679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-3679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-3679
  • 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 3343-3679 available by request