S511-1706 Screening compound: 2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N-methylacetamide

S511-1706 Screening compound: 2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N-methylacetamide
S511-1706 Screening compound: 2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-1706
2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N-methylacetamide

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

S511-1706

Molecular Formula

C19H27FN2O2 (C19 H27 FN2 O2)

Compound Name

2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N-methylacetamide

IUPAC name

2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N-methylacetamide

SMILES

CNC(CC1CC2(CCN(Cc3cccc(F)c3)CC2)OCC1)=O

InChI

InChI=1S/C19H27FN2O2/c1-21-18(23)12-15-5-10-24-19(13-15)6-8-22(9-7-19)14-16-3-2-4-17(20)11-16/h2-4,11,15H,5-10,12-14H2,1H3,(H,21,23)/t15-/m0/s1

InChI Key

NNKRCLGJMFOOQI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31975842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.236

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-2.66

Polar Surface Area

35.195

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S511-1706 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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 S511-1706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-1706?
Check Price and Availability of S511-1706, 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 S511-1706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-1706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-1706
  • 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 S511-1706 available by request