K978-0163 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-[4-(trifluoromethoxy)phenyl]acetamide

K978-0163 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-[4-(trifluoromethoxy)phenyl]acetamide
K978-0163 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0163
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-[4-(trifluoromethoxy)phenyl]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

K978-0163

Molecular Formula

C18H15F3N2O4 (C18 H15 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(C1C2C3C=CC1C3)=O)C2=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C18H15F3N2O4/c19-18(20,21)27-12-5-3-11(4-6-12)22-13(24)8-23-16(25)14-9-1-2-10(7-9)15(14)17(23)26/h1-6,9-10,14-15H,7-8H2,(H,22,24)

InChI Key

FXFUXKNECJAZTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04615044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-3.13

Polar Surface Area

59.422

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

K978-0163 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K978-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K978-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0163
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0163
  • 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 K978-0163 available by request