K978-0193 Screening compound: 4-[2-(3,5-dioxo-4-phenethylpiperazino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

K978-0193 Screening compound: 4-[2-(3,5-dioxo-4-phenethylpiperazino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
K978-0193 Screening compound: 4-[2-(3,5-dioxo-4-phenethylpiperazino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0193
4-[2-(3,5-dioxo-4-phenethylpiperazino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-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

K978-0193

Molecular Formula

C23H23N3O5 (C23 H23 N3 O5)

Compound Name

4-[2-(3,5-dioxo-4-phenethylpiperazino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-{2-[35-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxoethyl}-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(CN(C(C1C2C3C=CC1C3)=O)C2=O)N(CC(N1CCc2ccccc2)=O)CC1=O

InChI

InChI=1S/C23H23N3O5/c27-17(13-26-22(30)20-15-6-7-16(10-15)21(20)23(26)31)24-11-18(28)25(19(29)12-24)9-8-14-4-2-1-3-5-14/h1-7,15-16,20-21H,8-13H2

InChI Key

VBUYEURFMCTYHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.295

Distribution Coefficient, logD

-0.295

Water Solubility, LogSw

-1.48

Polar Surface Area

76.096

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

43.50

K978-0193 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K978-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K978-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0193
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  • 2–4 weeks for large selections
Delivery formats for K978-0193
  • 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 K978-0193 available by request