M857-0015 Screening compound: 1-{[1-(butylsulfonyl)-4-piperidyl]methyl}azepane

M857-0015 Screening compound: 1-{[1-(butylsulfonyl)-4-piperidyl]methyl}azepane
M857-0015 Screening compound: 1-{[1-(butylsulfonyl)-4-piperidyl]methyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound M857-0015
1-{[1-(butylsulfonyl)-4-piperidyl]methyl}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

M857-0015

Molecular Formula

C16H32N2O2S (C16 H32 N2 O2 S)

Compound Name

1-{[1-(butylsulfonyl)-4-piperidyl]methyl}azepane

IUPAC name

1-{[1-(butane-1-sulfonyl)piperidin-4-yl]methyl}azepane

SMILES

CCCCS(N1CCC(CN2CCCCCC2)CC1)(=O)=O

InChI

InChI=1S/C16H32N2O2S/c1-2-3-14-21(19,20)18-12-8-16(9-13-18)15-17-10-6-4-5-7-11-17/h16H,2-15H2,1H3

InChI Key

TURUNNKJERIREI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27555517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

0.213

Water Solubility, LogSw

-2.96

Polar Surface Area

36.179

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

M857-0015 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 M857-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M857-0015?
Check Price and Availability of M857-0015, 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 M857-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M857-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M857-0015
  • 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 M857-0015 available by request