S647-0028 Screening compound: 7-cyclopentanecarbonyl-2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane

S647-0028 Screening compound: 7-cyclopentanecarbonyl-2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane
S647-0028 Screening compound: 7-cyclopentanecarbonyl-2-(3-fluorophenyl)-1-phenyl-2,7-diazaspiro[3.5]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound S647-0028
7-cyclopentanecarbonyl-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

S647-0028

Molecular Formula

C25H29FN2O (C25 H29 FN2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCC1)N(CC1)CCC1(C1)C(c2ccccc2)N1c1cccc(F)c1

InChI

InChI=1S/C25H29FN2O/c26-21-11-6-12-22(17-21)28-18-25(23(28)19-7-2-1-3-8-19)13-15-27(16-14-25)24(29)20-9-4-5-10-20/h1-3,6-8,11-12,17,20,23H,4-5,9-10,13-16,18H2/t23-/m1/s1

InChI Key

VAOISJPJAVQFKP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD31997400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.055

Distribution Coefficient, logD

5.047

Water Solubility, LogSw

-4.94

Polar Surface Area

20.136

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

S647-0028 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S647-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S647-0028?
Check Price and Availability of S647-0028, 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 S647-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S647-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S647-0028
  • 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 S647-0028 available by request