S380-0665 Screening compound: 8-tert-butyl-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-diazaspiro[4.5]decane-2,4-dione

S380-0665 Screening compound: 8-tert-butyl-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-diazaspiro[4.5]decane-2,4-dione
S380-0665 Screening compound: 8-tert-butyl-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-diazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S380-0665
8-tert-butyl-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-diazaspiro[4.5]decane-2,4-dione

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

S380-0665

Molecular Formula

C24H33FN4O3 (C24 H33 FN4 O3)

Compound Name

8-tert-butyl-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-diazaspiro[4.5]decane-2,4-dione

IUPAC name

8-tert-butyl-3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-13-diazaspiro[4.5]decane-24-dione

SMILES

CC(C)(C)C(CC1)CCC1(C(N1CC(N(CC2)CCN2c(cc2)ccc2F)=O)=O)NC1=O

InChI

InChI=1S/C24H33FN4O3/c1-23(2,3)17-8-10-24(11-9-17)21(31)29(22(32)26-24)16-20(30)28-14-12-27(13-15-28)19-6-4-18(25)5-7-19/h4-7,17H,8-16H2,1-3H3,(H,26,32)

InChI Key

BLYMFCSHRPFWAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15212506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-3.42

Polar Surface Area

61.490

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

S380-0665 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Endocrine
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S380-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S380-0665?
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What is the minimum amount of S380-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S380-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S380-0665
  • 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 S380-0665 available by request