C085-1703 Screening compound: 1-(4-cyclohexylbenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole

C085-1703 Screening compound: 1-(4-cyclohexylbenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole
C085-1703 Screening compound: 1-(4-cyclohexylbenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-1703
1-(4-cyclohexylbenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole

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

C085-1703

Molecular Formula

C21H25NO2S (C21 H25 NO2 S)

Compound Name

1-(4-cyclohexylbenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole

IUPAC name

1-(4-cyclohexylbenzenesulfonyl)-2-methyl-23-dihydro-1H-indole

SMILES

CC(Cc1c2cccc1)N2S(c1ccc(C2CCCCC2)cc1)(=O)=O

InChI

InChI=1S/C21H25NO2S/c1-16-15-19-9-5-6-10-21(19)22(16)25(23,24)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h5-6,9-14,16-17H,2-4,7-8,15H2,1H3/t16-/m0/s1

InChI Key

NJVCZGSVAIFBQA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03828593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.930

Distribution Coefficient, logD

5.930

Water Solubility, LogSw

-5.53

Polar Surface Area

31.393

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

-9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C085-1703 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C085-1703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-1703?
Check Price and Availability of C085-1703, 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 C085-1703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-1703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-1703
  • 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 C085-1703 available by request