C085-1705 Screening compound: 2-(4-cyclohexylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline

C085-1705 Screening compound: 2-(4-cyclohexylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
C085-1705 Screening compound: 2-(4-cyclohexylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-1705
2-(4-cyclohexylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline

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

C085-1705

Molecular Formula

C21H25NO2S (C21 H25 NO2 S)

Compound Name

2-(4-cyclohexylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(4-cyclohexylbenzenesulfonyl)-1234-tetrahydroisoquinoline

SMILES

O=S(c1ccc(C2CCCCC2)cc1)(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C21H25NO2S/c23-25(24,22-15-14-18-8-4-5-9-20(18)16-22)21-12-10-19(11-13-21)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2

InChI Key

KSZBUNYAQKKRMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03132279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.670

Distribution Coefficient, logD

5.670

Water Solubility, LogSw

-5.78

Polar Surface Area

31.532

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C085-1705 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C085-1705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-1705?
Check Price and Availability of C085-1705, 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 C085-1705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-1705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-1705
  • 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 C085-1705 available by request