K978-0292 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-methyl-4-quinolyl)propanamide

K978-0292 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-methyl-4-quinolyl)propanamide
K978-0292 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-methyl-4-quinolyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0292
3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-methyl-4-quinolyl)propanamide

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

K978-0292

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc2ccccc2c(NC(CCN(C(C2C3C4C=CC2C4)=O)C3=O)=O)c1

InChI

InChI=1S/C22H21N3O3/c1-12-10-17(15-4-2-3-5-16(15)23-12)24-18(26)8-9-25-21(27)19-13-6-7-14(11-13)20(19)22(25)28/h2-7,10,13-14,19-20H,8-9,11H2,1H3,(H,23,24,26)

InChI Key

QBQHUVDMGOWVFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.670

Distribution Coefficient, logD

1.523

Water Solubility, LogSw

-2.39

Polar Surface Area

60.903

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.40

K978-0292 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 K978-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0292?
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What is the minimum amount of K978-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0292
  • 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 K978-0292 available by request