S664-0082 Screening compound: 1-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-azaspiro[3.5]nonane

S664-0082 Screening compound: 1-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-azaspiro[3.5]nonane
S664-0082 Screening compound: 1-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-azaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-0082
1-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-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

S664-0082

Molecular Formula

C20H27NO3 (C20 H27 NO3)

Compound Name

1-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-azaspiro[3.5]nonane

IUPAC name

1-methoxy-7-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-7-azaspiro[3.5]nonane

SMILES

COC(CC1)C1(CC1)CCN1C(C1(CC1)c(cc1)ccc1OC)=O

InChI

InChI=1S/C20H27NO3/c1-23-16-5-3-15(4-6-16)20(9-10-20)18(22)21-13-11-19(12-14-21)8-7-17(19)24-2/h3-6,17H,7-14H2,1-2H3/t17-/m0/s1

InChI Key

SUPACHGGZDITES-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29015931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.44

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

2.218

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-2.26

Polar Surface Area

31.934

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S664-0082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S664-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-0082?
Check Price and Availability of S664-0082, 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 S664-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-0082
  • 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 S664-0082 available by request