K978-0113 Screening compound: N-(3-ACETYLPHENYL)-2-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]DEC-8-EN-4-YL}ACETAMIDE

K978-0113 Screening compound: N-(3-ACETYLPHENYL)-2-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]DEC-8-EN-4-YL}ACETAMIDE
K978-0113 Screening compound: N-(3-ACETYLPHENYL)-2-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]DEC-8-EN-4-YL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0113
N-(3-ACETYLPHENYL)-2-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]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

K978-0113

Molecular Formula

C19H18N2O4 (C19 H18 N2 O4)

Compound Name

N-(3-ACETYLPHENYL)-2-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]DEC-8-EN-4-YL}ACETAMIDE

IUPAC name

N-(3-acetylphenyl)-2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}acetamide

SMILES

CC(c1cccc(NC(CN(C(C2C3C4C=CC2C4)=O)C3=O)=O)c1)=O

InChI

InChI=1S/C19H18N2O4/c1-10(22)11-3-2-4-14(8-11)20-15(23)9-21-18(24)16-12-5-6-13(7-12)17(16)19(21)25/h2-6,8,12-13,16-17H,7,9H2,1H3,(H,20,23)

InChI Key

MDZLOXIZTBGBQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03186745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.186

Distribution Coefficient, logD

1.186

Water Solubility, LogSw

-2.15

Polar Surface Area

67.312

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.80

K978-0113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 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:
  • 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 K978-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0113?
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What is the minimum amount of K978-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0113
  • 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 K978-0113 available by request