C085-0297 Screening compound: 1-(4-fluorobenzenesulfonyl)azepane

C085-0297 Screening compound: 1-(4-fluorobenzenesulfonyl)azepane
C085-0297 Screening compound: 1-(4-fluorobenzenesulfonyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-0297
1-(4-fluorobenzenesulfonyl)azepane

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

C085-0297

Molecular Formula

C12H16FNO2S (C12 H16 FNO2 S)

Compound Name

1-(4-fluorobenzenesulfonyl)azepane

IUPAC name

1-(4-fluorobenzenesulfonyl)azepane

SMILES

O=S(c(cc1)ccc1F)(N1CCCCCC1)=O

InChI

InChI=1S/C12H16FNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10H2

InChI Key

LFHJMKICHBXICL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

2.812

Water Solubility, LogSw

-3.18

Polar Surface Area

32.280

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C085-0297 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C085-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-0297?
Check Price and Availability of C085-0297, 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 C085-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-0297
  • 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 C085-0297 available by request