S647-0046 Screening compound: 2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane

S647-0046 Screening compound: 2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane
S647-0046 Screening compound: 2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S647-0046
2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[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

S647-0046

Molecular Formula

C19H21FN2 (C19 H21 FN2)

Compound Name

2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane

IUPAC name

2-(3-fluorophenyl)-1-phenyl-27-diazaspiro[3.5]nonane

SMILES

Fc1cc(N(CC23CCNCC3)C2c2ccccc2)ccc1

InChI

InChI=1S/C19H21FN2/c20-16-7-4-8-17(13-16)22-14-19(9-11-21-12-10-19)18(22)15-5-2-1-3-6-15/h1-8,13,18,21H,9-12,14H2/t18-/m1/s1

InChI Key

FRMUQPNPCLLYOT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD28897775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.39

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

0.055

Water Solubility, LogSw

-3.09

Polar Surface Area

15.083

Acid Dissociation Constant (pKa)

24.92

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

S647-0046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

Regenerative Medicine Focused Library (23016 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S647-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S647-0046?
Check Price and Availability of S647-0046, 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 S647-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S647-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S647-0046
  • 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 S647-0046 available by request