C085-0300 Screening compound: 1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline

C085-0300 Screening compound: 1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline
C085-0300 Screening compound: 1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-0300
1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline

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

C085-0300

Molecular Formula

C15H14FNO2S (C15 H14 FNO2 S)

Compound Name

1-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(4-fluorobenzenesulfonyl)-1234-tetrahydroquinoline

SMILES

O=S(c(cc1)ccc1F)(N(CCC1)c2c1cccc2)=O

InChI

InChI=1S/C15H14FNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2

InChI Key

UXEDWAWAWJTDCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00784594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.47

Polar Surface Area

31.391

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

-9.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C085-0300 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 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
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C085-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-0300?
Check Price and Availability of C085-0300, 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 C085-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-0300
  • 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 C085-0300 available by request