K978-0386 Screening compound: 4-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

K978-0386 Screening compound: 4-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
K978-0386 Screening compound: 4-{3-[4-(4-fluorophenyl)piperazino]-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 K978-0386
4-{3-[4-(4-fluorophenyl)piperazino]-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

K978-0386

Molecular Formula

C22H24FN3O3 (C22 H24 FN3 O3)

Compound Name

4-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C22H24FN3O3/c23-16-3-5-17(6-4-16)24-9-11-25(12-10-24)18(27)7-8-26-21(28)19-14-1-2-15(13-14)20(19)22(26)29/h1-6,14-15,19-20H,7-13H2

InChI Key

UHBMGKLZAKGENB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.416

Distribution Coefficient, logD

1.416

Water Solubility, LogSw

-1.89

Polar Surface Area

49.967

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

K978-0386 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Cysteine Proteases Inhibitors Library (7839 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
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K978-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0386?
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What is the minimum amount of K978-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0386
  • 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 K978-0386 available by request