S757-0149 Screening compound: 2-({4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}methyl)benzonitrile

S757-0149 Screening compound: 2-({4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}methyl)benzonitrile
S757-0149 Screening compound: 2-({4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S757-0149
2-({4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}methyl)benzonitrile

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

S757-0149

Molecular Formula

C22H26N4O (C22 H26 N4 O)

Compound Name

2-({4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}methyl)benzonitrile

IUPAC name

2-({4-[(2S3S)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}methyl)benzonitrile

SMILES

CO[C@H](C1)[C@@H](c2cnccc2)N1C1CCN(Cc(cccc2)c2C#N)CC1

InChI

InChI=1S/C22H26N4O/c1-27-21-16-26(22(21)18-7-4-10-24-14-18)20-8-11-25(12-9-20)15-19-6-3-2-5-17(19)13-23/h2-7,10,14,20-22H,8-9,11-12,15-16H2,1H3/t21-,22-/m1/s1

InChI Key

JIHCOBXDIOLORP-FGZHOGPDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

2.273

Water Solubility, LogSw

-2.47

Polar Surface Area

40.150

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.46

S757-0149 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S757-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S757-0149?
Check Price and Availability of S757-0149, 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 S757-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S757-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S757-0149
  • 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 S757-0149 available by request