S835-4411 Screening compound: 9-benzyl-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

S835-4411 Screening compound: 9-benzyl-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
S835-4411 Screening compound: 9-benzyl-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S835-4411
9-benzyl-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecan-4-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

S835-4411

Molecular Formula

C18H27NO3 (C18 H27 NO3)

Compound Name

9-benzyl-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

IUPAC name

9-benzyl-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

SMILES

COCC1(CC2(CCN(Cc3ccccc3)CC2)OCC1)O

InChI

InChI=1S/C18H27NO3/c1-21-15-17(20)9-12-22-18(14-17)7-10-19(11-8-18)13-16-5-3-2-4-6-16/h2-6,20H,7-15H2,1H3/t17-/m0/s1

InChI Key

VJKXLHUPYZSIJP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30459158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

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

1.947

Distribution Coefficient, logD

0.832

Water Solubility, LogSw

-1.86

Polar Surface Area

34.570

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S835-4411 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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
  • 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 S835-4411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S835-4411?
Check Price and Availability of S835-4411, 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 S835-4411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S835-4411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S835-4411
  • 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 S835-4411 available by request