S232-1953 Screening compound: (5AS,9AS)-1-(3-PYRIDYLMETHYL)OCTAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8(1H)-YL METHYL SULFONE

S232-1953 Screening compound: (5AS,9AS)-1-(3-PYRIDYLMETHYL)OCTAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8(1H)-YL METHYL SULFONE
S232-1953 Screening compound: (5AS,9AS)-1-(3-PYRIDYLMETHYL)OCTAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8(1H)-YL METHYL SULFONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S232-1953
(5AS,9AS)-1-(3-PYRIDYLMETHYL)OCTAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8(1H)-YL METHYL SULFONE

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

S232-1953

Molecular Formula

C15H23N3O3S (C15 H23 N3 O3 S)

Compound Name

(5AS,9AS)-1-(3-PYRIDYLMETHYL)OCTAHYDROPYRIDO[3,4-E][1,4]OXAZEPIN-8(1H)-YL METHYL SULFONE

IUPAC name

3-{[(5aS9aS)-8-methanesulfonyl-decahydropyrido[34-e][14]oxazepin-1-yl]methyl}pyridine

SMILES

CS(N1C[C@@H]2N(Cc3cnccc3)CCOC[C@@H]2CC1)(=O)=O

InChI

InChI=1S/C15H23N3O3S/c1-22(19,20)18-6-4-14-12-21-8-7-17(15(14)11-18)10-13-3-2-5-16-9-13/h2-3,5,9,14-15H,4,6-8,10-12H2,1H3/t14-,15+/m1/s1

InChI Key

VHKNCTBONBTWDD-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.005

Distribution Coefficient, logD

-0.006

Water Solubility, LogSw

-1.36

Polar Surface Area

52.818

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S232-1953 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S232-1953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S232-1953?
Check Price and Availability of S232-1953, 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 S232-1953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S232-1953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S232-1953
  • 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 S232-1953 available by request