K978-0318 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-fluorophenyl)propanamide

K978-0318 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-fluorophenyl)propanamide
K978-0318 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0318
3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-fluorophenyl)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

K978-0318

Molecular Formula

C18H17FN2O3 (C18 H17 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)Nc(cc1)ccc1F

InChI

InChI=1S/C18H17FN2O3/c19-12-3-5-13(6-4-12)20-14(22)7-8-21-17(23)15-10-1-2-11(9-10)16(15)18(21)24/h1-6,10-11,15-16H,7-9H2,(H,20,22)

InChI Key

HQADHCKFOJNBQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03185658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.34

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

1.513

Distribution Coefficient, logD

1.513

Water Solubility, LogSw

-2.12

Polar Surface Area

53.464

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

K978-0318 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K978-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0318?
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What is the minimum amount of K978-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0318
  • 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 K978-0318 available by request