M759-3109 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-N-methyl-N-[(pyridin-3-yl)methyl]azetidin-3-amine

M759-3109 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-N-methyl-N-[(pyridin-3-yl)methyl]azetidin-3-amine
M759-3109 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-N-methyl-N-[(pyridin-3-yl)methyl]azetidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M759-3109
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-N-methyl-N-[(pyridin-3-yl)methyl]azetidin-3-amine

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

M759-3109

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-N-methyl-N-[(pyridin-3-yl)methyl]azetidin-3-amine

IUPAC name

1-(23-dihydro-14-benzodioxine-6-sulfonyl)-N-methyl-N-[(pyridin-3-yl)methyl]azetidin-3-amine

SMILES

CN(Cc1cnccc1)C(C1)CN1S(c(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C18H21N3O4S/c1-20(11-14-3-2-6-19-10-14)15-12-21(13-15)26(22,23)16-4-5-17-18(9-16)25-8-7-24-17/h2-6,9-10,15H,7-8,11-13H2,1H3

InChI Key

UIJWBWJVWXPAJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.277

Distribution Coefficient, logD

0.092

Water Solubility, LogSw

-1.69

Polar Surface Area

60.084

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

M759-3109 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M759-3109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M759-3109?
Check Price and Availability of M759-3109, 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 M759-3109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M759-3109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M759-3109
  • 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 M759-3109 available by request