S423-0049 Screening compound: 4-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl (1-methyl-1H-imidazol-4-yl) sulfone

S423-0049 Screening compound: 4-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl (1-methyl-1H-imidazol-4-yl) sulfone
S423-0049 Screening compound: 4-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl (1-methyl-1H-imidazol-4-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S423-0049
4-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl (1-methyl-1H-imidazol-4-yl) 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

S423-0049

Molecular Formula

C14H23N3O4S (C14 H23 N3 O4 S)

Compound Name

4-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl (1-methyl-1H-imidazol-4-yl) sulfone

IUPAC name

4-methoxy-9-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undecane

SMILES

Cn1cnc(S(N(CC2)CCC2(C2)OCCC2OC)(=O)=O)c1

InChI

InChI=1S/C14H23N3O4S/c1-16-10-13(15-11-16)22(18,19)17-6-4-14(5-7-17)9-12(20-2)3-8-21-14/h10-12H,3-9H2,1-2H3/t12-/m1/s1

InChI Key

ADWUWWUCLBEUTC-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29006064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.238

Distribution Coefficient, logD

0.238

Water Solubility, LogSw

-1.40

Polar Surface Area

58.020

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.60

S423-0049 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S423-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S423-0049?
Check Price and Availability of S423-0049, 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 S423-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S423-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S423-0049
  • 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 S423-0049 available by request