S759-0326 Screening compound: 2-methyl-5-{4-[3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}pyridine

S759-0326 Screening compound: 2-methyl-5-{4-[3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}pyridine
S759-0326 Screening compound: 2-methyl-5-{4-[3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S759-0326
2-methyl-5-{4-[3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}pyridine

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

S759-0326

Molecular Formula

C24H31N3O2 (C24 H31 N3 O2)

Compound Name

2-methyl-5-{4-[3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}pyridine

IUPAC name

2-methyl-5-{4-[(2S3S)-3-phenoxy-1-(propan-2-yl)azetidin-2-yl]piperidine-1-carbonyl}pyridine

SMILES

CC(C)N(C[C@H]1Oc2ccccc2)[C@@H]1C(CC1)CCN1C(c1cnc(C)cc1)=O

InChI

InChI=1S/C24H31N3O2/c1-17(2)27-16-22(29-21-7-5-4-6-8-21)23(27)19-11-13-26(14-12-19)24(28)20-10-9-18(3)25-15-20/h4-10,15,17,19,22-23H,11-14,16H2,1-3H3/t22-,23+/m0/s1

InChI Key

DJGYACJTXIDJFH-XZOQPEGZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

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

3.742

Distribution Coefficient, logD

-0.401

Water Solubility, LogSw

-3.78

Polar Surface Area

35.602

Acid Dissociation Constant (pKa)

25.91

Base Dissociation Constant (pKb)

11.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S759-0326 in Drug Discovery

Included in Screening Libraries

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 S759-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S759-0326?
Check Price and Availability of S759-0326, 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 S759-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S759-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S759-0326
  • 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 S759-0326 available by request