S647-0098 Screening compound: 4-[2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile

S647-0098 Screening compound: 4-[2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile
S647-0098 Screening compound: 4-[2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S647-0098
4-[2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile

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

S647-0098

Molecular Formula

C27H24FN3O (C27 H24 FN3 O)

Compound Name

4-[2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile

IUPAC name

4-[2-(3-fluorophenyl)-1-phenyl-27-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile

SMILES

N#Cc(cc1)ccc1C(N(CC1)CCC1(C1)C(c2ccccc2)N1c1cccc(F)c1)=O

InChI

InChI=1S/C27H24FN3O/c28-23-7-4-8-24(17-23)31-19-27(25(31)21-5-2-1-3-6-21)13-15-30(16-14-27)26(32)22-11-9-20(18-29)10-12-22/h1-12,17,25H,13-16,19H2/t25-/m1/s1

InChI Key

IMTWGQHVJFBHJF-RUZDIDTESA-N

MDL Number (MFCD)

MFCD31966509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.51

Polar Surface Area

36.634

Acid Dissociation Constant (pKa)

24.92

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.93

S647-0098 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Integrin Receptors Targeted library (1715 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S647-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S647-0098?
Check Price and Availability of S647-0098, 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 S647-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S647-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S647-0098
  • 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 S647-0098 available by request