S757-0052 Screening compound: 3-{3-methoxy-1-[1-(oxane-4-carbonyl)piperidin-4-yl]azetidin-2-yl}pyridine

S757-0052 Screening compound: 3-{3-methoxy-1-[1-(oxane-4-carbonyl)piperidin-4-yl]azetidin-2-yl}pyridine
S757-0052 Screening compound: 3-{3-methoxy-1-[1-(oxane-4-carbonyl)piperidin-4-yl]azetidin-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S757-0052
3-{3-methoxy-1-[1-(oxane-4-carbonyl)piperidin-4-yl]azetidin-2-yl}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

S757-0052

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

3-{3-methoxy-1-[1-(oxane-4-carbonyl)piperidin-4-yl]azetidin-2-yl}pyridine

IUPAC name

3-[(2S3S)-3-methoxy-1-[1-(oxane-4-carbonyl)piperidin-4-yl]azetidin-2-yl]pyridine

SMILES

CO[C@H](C1)[C@@H](c2cnccc2)N1C(CC1)CCN1C(C1CCOCC1)=O

InChI

InChI=1S/C20H29N3O3/c1-25-18-14-23(19(18)16-3-2-8-21-13-16)17-4-9-22(10-5-17)20(24)15-6-11-26-12-7-15/h2-3,8,13,15,17-19H,4-7,9-12,14H2,1H3/t18-,19+/m0/s1

InChI Key

SNSQMQRINXNHLD-RBUKOAKNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.309

Distribution Coefficient, logD

0.752

Water Solubility, LogSw

-0.83

Polar Surface Area

44.110

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.00

S757-0052 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S757-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S757-0052?
Check Price and Availability of S757-0052, 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 S757-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S757-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S757-0052
  • 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 S757-0052 available by request