K655-0096 Screening compound: 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

K655-0096 Screening compound: 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
K655-0096 Screening compound: 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K655-0096
4-[3-(1-azepanylcarbonyl)phenyl]-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

K655-0096

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-[3-(azepane-1-carbonyl)phenyl]-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(c1cccc(N(C(C2C3C4C=CC2C4)=O)C3=O)c1)N1CCCCCC1

InChI

InChI=1S/C22H24N2O3/c25-20(23-10-3-1-2-4-11-23)16-6-5-7-17(13-16)24-21(26)18-14-8-9-15(12-14)19(18)22(24)27/h5-9,13-15,18-19H,1-4,10-12H2

InChI Key

UWMPGOAGBPHVMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02915888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.041

Distribution Coefficient, logD

2.041

Water Solubility, LogSw

-2.47

Polar Surface Area

46.704

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

K655-0096 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Human Transcription Factors Annotated Library (5098 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 K655-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K655-0096?
Check Price and Availability of K655-0096, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K655-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K655-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K655-0096
  • 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 K655-0096 available by request