M857-0072 Screening compound: 1-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]methyl}azepane

M857-0072 Screening compound: 1-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]methyl}azepane
M857-0072 Screening compound: 1-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]methyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound M857-0072
1-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]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

M857-0072

Molecular Formula

C21H32N2O2S (C21 H32 N2 O2 S)

Compound Name

1-{[1-(2,3-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]methyl}azepane

IUPAC name

1-{[1-(23-dihydro-1H-indene-5-sulfonyl)piperidin-4-yl]methyl}azepane

SMILES

O=S(c1cc(CCC2)c2cc1)(N1CCC(CN2CCCCCC2)CC1)=O

InChI

InChI=1S/C21H32N2O2S/c24-26(25,21-9-8-19-6-5-7-20(19)16-21)23-14-10-18(11-15-23)17-22-12-3-1-2-4-13-22/h8-9,16,18H,1-7,10-15,17H2

InChI Key

NKCQNHDYKDDNKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27555527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.530

Distribution Coefficient, logD

1.617

Water Solubility, LogSw

-4.30

Polar Surface Area

36.300

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

M857-0072 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M857-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M857-0072?
Check Price and Availability of M857-0072, 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 M857-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M857-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M857-0072
  • 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 M857-0072 available by request