M857-0058 Screening compound: 1-[4-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one

M857-0058 Screening compound: 1-[4-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one
M857-0058 Screening compound: 1-[4-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M857-0058
1-[4-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one

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

M857-0058

Molecular Formula

C20H30N2O3S (C20 H30 N2 O3 S)

Compound Name

1-[4-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one

IUPAC name

1-[4-({4-[(azepan-1-yl)methyl]piperidin-1-yl}sulfonyl)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1S(N1CCC(CN2CCCCCC2)CC1)(=O)=O)=O

InChI

InChI=1S/C20H30N2O3S/c1-17(23)19-6-8-20(9-7-19)26(24,25)22-14-10-18(11-15-22)16-21-12-4-2-3-5-13-21/h6-9,18H,2-5,10-16H2,1H3

InChI Key

ASBPXCMRDRUEGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27555522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.132

Distribution Coefficient, logD

0.220

Water Solubility, LogSw

-3.20

Polar Surface Area

49.840

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

M857-0058 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M857-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M857-0058?
Check Price and Availability of M857-0058, 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 M857-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M857-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M857-0058
  • 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 M857-0058 available by request