K978-0186 Screening compound: N~1~-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

K978-0186 Screening compound: N~1~-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide
K978-0186 Screening compound: N~1~-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0186
N~1~-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

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

K978-0186

Molecular Formula

C18H18N2O3 (C18 H18 N2 O3)

Compound Name

N~1~-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

IUPAC name

N-benzyl-2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}acetamide

SMILES

O=C(CN(C(C1C2C3C=CC1C3)=O)C2=O)NCc1ccccc1

InChI

InChI=1S/C18H18N2O3/c21-14(19-9-11-4-2-1-3-5-11)10-20-17(22)15-12-6-7-13(8-12)16(15)18(20)23/h1-7,12-13,15-16H,8-10H2,(H,19,21)

InChI Key

BQNRVAYWAKBZJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03040897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.023

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-1.90

Polar Surface Area

54.807

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

K978-0186 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Nervous system
  • 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 K978-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0186?
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What is the minimum amount of K978-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0186
  • 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 K978-0186 available by request