D360-7057 Screening compound: 2-(benzylsulfanyl)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

D360-7057 Screening compound: 2-(benzylsulfanyl)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
D360-7057 Screening compound: 2-(benzylsulfanyl)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-7057
2-(benzylsulfanyl)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

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

D360-7057

Molecular Formula

C17H14N2OS (C17 H14 N2 OS)

Compound Name

2-(benzylsulfanyl)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile

IUPAC name

2-(benzylsulfanyl)-5-oxo-5678-tetrahydroquinoline-3-carbonitrile

SMILES

N#Cc1cc(C(CCC2)=O)c2nc1SCc1ccccc1

InChI

InChI=1S/C17H14N2OS/c18-10-13-9-14-15(7-4-8-16(14)20)19-17(13)21-11-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,11H2

InChI Key

GVKPJQJDYSIFJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03296920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.88

Polar Surface Area

40.440

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D360-7057 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D360-7057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-7057?
Check Price and Availability of D360-7057, 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 D360-7057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-7057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-7057
  • 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 D360-7057 available by request