C085-1699 Screening compound: 4-(4-cyclohexylbenzenesulfonyl)-2,6-dimethylmorpholine

C085-1699 Screening compound: 4-(4-cyclohexylbenzenesulfonyl)-2,6-dimethylmorpholine
C085-1699 Screening compound: 4-(4-cyclohexylbenzenesulfonyl)-2,6-dimethylmorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-1699
4-(4-cyclohexylbenzenesulfonyl)-2,6-dimethylmorpholine

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

C085-1699

Molecular Formula

C18H27NO3S (C18 H27 NO3 S)

Compound Name

4-(4-cyclohexylbenzenesulfonyl)-2,6-dimethylmorpholine

IUPAC name

4-(4-cyclohexylbenzenesulfonyl)-26-dimethylmorpholine

SMILES

CC(C1)OC(C)CN1S(c1ccc(C2CCCCC2)cc1)(=O)=O

InChI

InChI=1S/C18H27NO3S/c1-14-12-19(13-15(2)22-14)23(20,21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-11,14-16H,3-7,12-13H2,1-2H3

InChI Key

QBWOAWBMDYYGON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03132210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.00

Polar Surface Area

38.802

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

-5.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

C085-1699 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C085-1699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-1699?
Check Price and Availability of C085-1699, 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 C085-1699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-1699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-1699
  • 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 C085-1699 available by request