S511-1420 Screening compound: 2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N,N-dimethylacetamide

S511-1420 Screening compound: 2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N,N-dimethylacetamide
S511-1420 Screening compound: 2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-1420
2-{9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}-N,N-dimethylacetamide

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

S511-1420

Molecular Formula

C20H29FN2O2 (C20 H29 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(CC1CC2(CCN(Cc3cccc(F)c3)CC2)OCC1)=O

InChI

InChI=1S/C20H29FN2O2/c1-22(2)19(24)13-16-6-11-25-20(14-16)7-9-23(10-8-20)15-17-4-3-5-18(21)12-17/h3-5,12,16H,6-11,13-15H2,1-2H3/t16-/m0/s1

InChI Key

XYESNGAZPVKJSI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31976856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

1.746

Water Solubility, LogSw

-2.62

Polar Surface Area

26.046

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S511-1420 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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 S511-1420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-1420?
Check Price and Availability of S511-1420, 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 S511-1420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-1420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-1420
  • 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 S511-1420 available by request