C085-0682 Screening compound: 3,5-dimethyl-1-[4-(2-methylpropyl)benzenesulfonyl]piperidine

C085-0682 Screening compound: 3,5-dimethyl-1-[4-(2-methylpropyl)benzenesulfonyl]piperidine
C085-0682 Screening compound: 3,5-dimethyl-1-[4-(2-methylpropyl)benzenesulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-0682
3,5-dimethyl-1-[4-(2-methylpropyl)benzenesulfonyl]piperidine

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

C085-0682

Molecular Formula

C17H27NO2S (C17 H27 NO2 S)

Compound Name

3,5-dimethyl-1-[4-(2-methylpropyl)benzenesulfonyl]piperidine

IUPAC name

35-dimethyl-1-[4-(2-methylpropyl)benzenesulfonyl]piperidine

SMILES

CC(C)Cc(cc1)ccc1S(N1CC(C)CC(C)C1)(=O)=O

InChI

InChI=1S/C17H27NO2S/c1-13(2)9-16-5-7-17(8-6-16)21(19,20)18-11-14(3)10-15(4)12-18/h5-8,13-15H,9-12H2,1-4H3

InChI Key

ZQCBSLHJURCUNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.47

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

4.927

Distribution Coefficient, logD

4.927

Water Solubility, LogSw

-4.54

Polar Surface Area

31.816

Acid Dissociation Constant (pKa)

24.74

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.70

C085-0682 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C085-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-0682?
Check Price and Availability of C085-0682, 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 C085-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-0682
  • 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 C085-0682 available by request