M758-2104 Screening compound: 1-{3-[(cyclopropylmethyl)[(pyridin-4-yl)methyl]amino]azetidin-1-yl}-2-phenoxypropan-1-one

M758-2104 Screening compound: 1-{3-[(cyclopropylmethyl)[(pyridin-4-yl)methyl]amino]azetidin-1-yl}-2-phenoxypropan-1-one
M758-2104 Screening compound: 1-{3-[(cyclopropylmethyl)[(pyridin-4-yl)methyl]amino]azetidin-1-yl}-2-phenoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M758-2104
1-{3-[(cyclopropylmethyl)[(pyridin-4-yl)methyl]amino]azetidin-1-yl}-2-phenoxypropan-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

M758-2104

Molecular Formula

C22H27N3O2 (C22 H27 N3 O2)

Compound Name

1-{3-[(cyclopropylmethyl)[(pyridin-4-yl)methyl]amino]azetidin-1-yl}-2-phenoxypropan-1-one

IUPAC name

1-{3-[(cyclopropylmethyl)[(pyridin-4-yl)methyl]amino]azetidin-1-yl}-2-phenoxypropan-1-one

SMILES

CC(C(N(C1)CC1N(CC1CC1)Cc1ccncc1)=O)Oc1ccccc1

InChI

InChI=1S/C22H27N3O2/c1-17(27-21-5-3-2-4-6-21)22(26)25-15-20(16-25)24(13-18-7-8-18)14-19-9-11-23-12-10-19/h2-6,9-12,17-18,20H,7-8,13-16H2,1H3/t17-/m0/s1

InChI Key

UEBSBQCTQSHPMF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31980825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-2.27

Polar Surface Area

36.210

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

M758-2104 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 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
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M758-2104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M758-2104?
Check Price and Availability of M758-2104, 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 M758-2104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M758-2104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M758-2104
  • 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 M758-2104 available by request