S649-0909 Screening compound: 3-(cyclopropylmethoxy)-1-(piperidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane

S649-0909 Screening compound: 3-(cyclopropylmethoxy)-1-(piperidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane
S649-0909 Screening compound: 3-(cyclopropylmethoxy)-1-(piperidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S649-0909
3-(cyclopropylmethoxy)-1-(piperidin-4-yl)-7-oxa-1-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

S649-0909

Molecular Formula

C16H28N2O2 (C16 H28 N2 O2)

Compound Name

3-(cyclopropylmethoxy)-1-(piperidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane

IUPAC name

3-(cyclopropylmethoxy)-1-(piperidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane

SMILES

C(C1CC1)OC(C1)C2(CCOCC2)N1C1CCNCC1

InChI

InChI=1S/C16H28N2O2/c1-2-13(1)12-20-15-11-18(14-3-7-17-8-4-14)16(15)5-9-19-10-6-16/h13-15,17H,1-12H2/t15-/m1/s1

InChI Key

OCUGFGNTZFNOGE-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28897779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.709

Distribution Coefficient, logD

-1.943

Water Solubility, LogSw

-0.93

Polar Surface Area

30.090

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

S649-0909 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

References: we are preparing a list of scientific research reports with S649-0909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S649-0909?
Check Price and Availability of S649-0909, 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 S649-0909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S649-0909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S649-0909
  • 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 S649-0909 available by request