S664-0017 Screening compound: 1-methoxy-7-(3-methylbenzoyl)-7-azaspiro[3.5]nonane

S664-0017 Screening compound: 1-methoxy-7-(3-methylbenzoyl)-7-azaspiro[3.5]nonane
S664-0017 Screening compound: 1-methoxy-7-(3-methylbenzoyl)-7-azaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-0017
1-methoxy-7-(3-methylbenzoyl)-7-azaspiro[3.5]nonane

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

S664-0017

Molecular Formula

C17H23NO2 (C17 H23 NO2)

Compound Name

1-methoxy-7-(3-methylbenzoyl)-7-azaspiro[3.5]nonane

IUPAC name

1-methoxy-7-(3-methylbenzoyl)-7-azaspiro[3.5]nonane

SMILES

Cc1cccc(C(N(CC2)CCC2(CC2)C2OC)=O)c1

InChI

InChI=1S/C17H23NO2/c1-13-4-3-5-14(12-13)16(19)18-10-8-17(9-11-18)7-6-15(17)20-2/h3-5,12,15H,6-11H2,1-2H3/t15-/m0/s1

InChI Key

FSGOABXBOGJXCL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30463136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.924

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.14

Polar Surface Area

24.139

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S664-0017 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S664-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-0017?
Check Price and Availability of S664-0017, 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 S664-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-0017
  • 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 S664-0017 available by request