K978-0313 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-ethylphenyl)propanamide

K978-0313 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-ethylphenyl)propanamide
K978-0313 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-ethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0313
3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(2-ethylphenyl)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

K978-0313

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(CCN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C20H22N2O3/c1-2-12-5-3-4-6-15(12)21-16(23)9-10-22-19(24)17-13-7-8-14(11-13)18(17)20(22)25/h3-8,13-14,17-18H,2,9-11H2,1H3,(H,21,23)

InChI Key

VDASDOLWYBMRMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03185646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.984

Water Solubility, LogSw

-2.44

Polar Surface Area

52.766

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

45.00

K978-0313 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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 K978-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0313?
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What is the minimum amount of K978-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0313
  • 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 K978-0313 available by request