S726-0047 Screening compound: 2-[9-(5-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol

S726-0047 Screening compound: 2-[9-(5-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol
S726-0047 Screening compound: 2-[9-(5-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S726-0047
2-[9-(5-methylthiophene-2-carbonyl)-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

S726-0047

Molecular Formula

C17H25NO3S (C17 H25 NO3 S)

Compound Name

2-[9-(5-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol

IUPAC name

2-[9-(5-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol

SMILES

Cc1ccc(C(N(CC2)CCC22OCCC(CCO)C2)=O)s1

InChI

InChI=1S/C17H25NO3S/c1-13-2-3-15(22-13)16(20)18-8-6-17(7-9-18)12-14(4-10-19)5-11-21-17/h2-3,14,19H,4-12H2,1H3/t14-/m1/s1

InChI Key

CVLOPAUJDZXRED-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32227112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-2.42

Polar Surface Area

41.163

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

S726-0047 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 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:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S726-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S726-0047?
Check Price and Availability of S726-0047, 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 S726-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S726-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S726-0047
  • 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 S726-0047 available by request