S672-0575 Screening compound: 11-(2,1,3-benzothiadiazole-4-sulfonyl)-7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

S672-0575 Screening compound: 11-(2,1,3-benzothiadiazole-4-sulfonyl)-7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
S672-0575 Screening compound: 11-(2,1,3-benzothiadiazole-4-sulfonyl)-7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane alternative view

Chemical Structure Depiction of ChemDiv screening compound S672-0575
11-(2,1,3-benzothiadiazole-4-sulfonyl)-7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

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

S672-0575

Molecular Formula

C17H24N4O3S2 (C17 H24 N4 O3 S2)

Compound Name

11-(2,1,3-benzothiadiazole-4-sulfonyl)-7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

IUPAC name

11-(213-benzothiadiazole-4-sulfonyl)-7-ethyl-3-oxa-711-diazaspiro[5.6]dodecane

SMILES

CCN(CCC1)C2(CCOCC2)CN1S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C17H24N4O3S2/c1-2-20-9-4-10-21(13-17(20)7-11-24-12-8-17)26(22,23)15-6-3-5-14-16(15)19-25-18-14/h3,5-6H,2,4,7-13H2,1H3

InChI Key

CLGSHNFWUQQNEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31965878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-2.54

Polar Surface Area

64.179

Acid Dissociation Constant (pKa)

28.01

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

S672-0575 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

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

References: we are preparing a list of scientific research reports with S672-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S672-0575?
Check Price and Availability of S672-0575, 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 S672-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S672-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S672-0575
  • 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 S672-0575 available by request