M716-0179 Screening compound: 8-{3-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane

M716-0179 Screening compound: 8-{3-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane
M716-0179 Screening compound: 8-{3-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound M716-0179
8-{3-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

M716-0179

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

8-{3-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{3-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c1cc(-c(cc2)cnc2N2CCCCCC2)ccc1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C25H31N3O3/c29-24(28-14-10-25(11-15-28)30-16-17-31-25)21-7-5-6-20(18-21)22-8-9-23(26-19-22)27-12-3-1-2-4-13-27/h5-9,18-19H,1-4,10-17H2

InChI Key

STCRSKDDWLDYSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27552015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.14

Polar Surface Area

43.436

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

M716-0179 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M716-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M716-0179?
Check Price and Availability of M716-0179, 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 M716-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M716-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M716-0179
  • 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 M716-0179 available by request