S726-0276 Screening compound: 2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol

S726-0276 Screening compound: 2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol
S726-0276 Screening compound: 2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S726-0276
2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol

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

S726-0276

Molecular Formula

C17H23N3O4S2 (C17 H23 N3 O4 S2)

Compound Name

2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol

IUPAC name

2-[9-(213-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol

SMILES

OCCC1CC(CC2)(CCN2S(c2cccc3nsnc23)(=O)=O)OCC1

InChI

InChI=1S/C17H23N3O4S2/c21-10-4-13-5-11-24-17(12-13)6-8-20(9-7-17)26(22,23)15-3-1-2-14-16(15)19-25-18-14/h1-3,13,21H,4-12H2/t13-/m1/s1

InChI Key

AHSGSGYVSVOPFJ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32226873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-2.29

Polar Surface Area

76.160

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

S726-0276 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S726-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S726-0276?
Check Price and Availability of S726-0276, 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 S726-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S726-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S726-0276
  • 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 S726-0276 available by request