S665-0036 Screening compound: 1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-4-phenylbutan-1-one

S665-0036 Screening compound: 1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-4-phenylbutan-1-one
S665-0036 Screening compound: 1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S665-0036
1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-4-phenylbutan-1-one

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

S665-0036

Molecular Formula

C20H29NO2 (C20 H29 NO2)

Compound Name

1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-4-phenylbutan-1-one

IUPAC name

1-{1-ethyl-1-hydroxy-7-azaspiro[3.5]nonan-7-yl}-4-phenylbutan-1-one

SMILES

CCC(CC1)(C1(CC1)CCN1C(CCCc1ccccc1)=O)O

InChI

InChI=1S/C20H29NO2/c1-2-20(23)12-11-19(20)13-15-21(16-14-19)18(22)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,23H,2,6,9-16H2,1H3/t20-/m0/s1

InChI Key

SLMWGFPGAOSSOT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31975191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.42

Polar Surface Area

32.078

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S665-0036 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S665-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S665-0036?
Check Price and Availability of S665-0036, 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 S665-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S665-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S665-0036
  • 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 S665-0036 available by request