S232-0408 Screening compound: (5aS,9aS)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl isopropyl sulfone

S232-0408 Screening compound: (5aS,9aS)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl isopropyl sulfone
S232-0408 Screening compound: (5aS,9aS)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl isopropyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S232-0408
(5aS,9aS)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl isopropyl 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

S232-0408

Molecular Formula

C12H24N2O3S (C12 H24 N2 O3 S)

Compound Name

(5aS,9aS)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl isopropyl sulfone

IUPAC name

n/a

SMILES

CC(C)S(N1C[C@@H]2N(C)CCOC[C@@H]2CC1)(=O)=O

InChI

InChI=1S/C12H24N2O3S/c1-10(2)18(15,16)14-5-4-11-9-17-7-6-13(3)12(11)8-14/h10-12H,4-9H2,1-3H3/t11-,12+/m1/s1

InChI Key

KTRWOZSAHICHLQ-NEPJUHHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.429

Distribution Coefficient, logD

0.416

Water Solubility, LogSw

-0.68

Polar Surface Area

43.795

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

100.00

S232-0408 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S232-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S232-0408?
Check Price and Availability of S232-0408, 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 S232-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S232-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S232-0408
  • 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 S232-0408 available by request