K978-0449 Screening compound: 4-[3-(3,5-dioxo-4-phenethylpiperazino)-3-oxopropyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

K978-0449 Screening compound: 4-[3-(3,5-dioxo-4-phenethylpiperazino)-3-oxopropyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
K978-0449 Screening compound: 4-[3-(3,5-dioxo-4-phenethylpiperazino)-3-oxopropyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0449
4-[3-(3,5-dioxo-4-phenethylpiperazino)-3-oxopropyl]-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

K978-0449

Molecular Formula

C24H25N3O5 (C24 H25 N3 O5)

Compound Name

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

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C24H25N3O5/c28-18(9-11-27-23(31)21-16-6-7-17(12-16)22(21)24(27)32)25-13-19(29)26(20(30)14-25)10-8-15-4-2-1-3-5-15/h1-7,16-17,21-22H,8-14H2

InChI Key

ZCGVBFUBUYFDRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.037

Distribution Coefficient, logD

-0.037

Water Solubility, LogSw

-1.45

Polar Surface Area

76.074

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

45.80

K978-0449 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K978-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0449?
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What is the minimum amount of K978-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0449
  • 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 K978-0449 available by request