S664-4509 Screening compound: 7-(3-methoxy-2-methylbenzoyl)-7-azaspiro[3.5]nonan-1-ol

S664-4509 Screening compound: 7-(3-methoxy-2-methylbenzoyl)-7-azaspiro[3.5]nonan-1-ol
S664-4509 Screening compound: 7-(3-methoxy-2-methylbenzoyl)-7-azaspiro[3.5]nonan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-4509
7-(3-methoxy-2-methylbenzoyl)-7-azaspiro[3.5]nonan-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

S664-4509

Molecular Formula

C17H23NO3 (C17 H23 NO3)

Compound Name

7-(3-methoxy-2-methylbenzoyl)-7-azaspiro[3.5]nonan-1-ol

IUPAC name

7-(3-methoxy-2-methylbenzoyl)-7-azaspiro[3.5]nonan-1-ol

SMILES

Cc(c(OC)ccc1)c1C(N(CC1)CCC1(CC1)C1O)=O

InChI

InChI=1S/C17H23NO3/c1-12-13(4-3-5-14(12)21-2)16(20)18-10-8-17(9-11-18)7-6-15(17)19/h3-5,15,19H,6-11H2,1-2H3/t15-/m0/s1

InChI Key

HVTSAUOVHOXUDB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30465148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-2.26

Polar Surface Area

40.385

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S664-4509 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S664-4509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-4509?
Check Price and Availability of S664-4509, 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 S664-4509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-4509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-4509
  • 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 S664-4509 available by request