8016-4965 Screening compound: 1-(4-fluorophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)dihydro-1H-pyrrole-2,5-dione

8016-4965 Screening compound: 1-(4-fluorophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)dihydro-1H-pyrrole-2,5-dione
8016-4965 Screening compound: 1-(4-fluorophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4965
1-(4-fluorophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)dihydro-1H-pyrrole-2,5-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

8016-4965

Molecular Formula

C23H23FN4O3 (C23 H23 FN4 O3)

Compound Name

1-(4-fluorophenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(4-fluorophenyl)-3-{4-oxo-1-phenyl-138-triazaspiro[4.5]decan-8-yl}pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N(CC2)CCC2(C(NC2)=O)N2c2ccccc2)N1c(cc1)ccc1F

InChI

InChI=1S/C23H23FN4O3/c24-16-6-8-18(9-7-16)28-20(29)14-19(21(28)30)26-12-10-23(11-13-26)22(31)25-15-27(23)17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,25,31)/t19-/m1/s1

InChI Key

OXJOOAMLVVWQNL-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05856856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.694

Distribution Coefficient, logD

1.694

Water Solubility, LogSw

-2.06

Polar Surface Area

58.844

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

8016-4965 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-4965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4965?
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What is the minimum amount of 8016-4965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4965
  • 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 8016-4965 available by request