S924-0164 Screening compound: 8-[2-(3,5-dimethoxyphenyl)acetyl]-1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

S924-0164 Screening compound: 8-[2-(3,5-dimethoxyphenyl)acetyl]-1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
S924-0164 Screening compound: 8-[2-(3,5-dimethoxyphenyl)acetyl]-1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S924-0164
8-[2-(3,5-dimethoxyphenyl)acetyl]-1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-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

S924-0164

Molecular Formula

C25H29FN2O4 (C25 H29 FN2 O4)

Compound Name

8-[2-(3,5-dimethoxyphenyl)acetyl]-1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

IUPAC name

8-[2-(35-dimethoxyphenyl)acetyl]-1-[(4-fluorophenyl)methyl]-18-diazaspiro[4.5]decan-2-one

SMILES

COc1cc(CC(N(CC2)CCC2(CC2)N(Cc(cc3)ccc3F)C2=O)=O)cc(OC)c1

InChI

InChI=1S/C25H29FN2O4/c1-31-21-13-19(14-22(16-21)32-2)15-24(30)27-11-9-25(10-12-27)8-7-23(29)28(25)17-18-3-5-20(26)6-4-18/h3-6,13-14,16H,7-12,15,17H2,1-2H3

InChI Key

KYZSJKBFFIZKBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31959677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.51

Polar Surface Area

47.738

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

S924-0164 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S924-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S924-0164?
Check Price and Availability of S924-0164, 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 S924-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S924-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S924-0164
  • 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 S924-0164 available by request