K978-0095 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

K978-0095 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide
K978-0095 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0095
N~1~-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]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

K978-0095

Molecular Formula

C19H20N2O5 (C19 H20 N2 O5)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}acetamide

SMILES

COc(cc1)cc(NC(CN(C(C2C3C4C=CC2C4)=O)C3=O)=O)c1OC

InChI

InChI=1S/C19H20N2O5/c1-25-12-5-6-14(26-2)13(8-12)20-15(22)9-21-18(23)16-10-3-4-11(7-10)17(16)19(21)24/h3-6,8,10-11,16-17H,7,9H2,1-2H3,(H,20,22)

InChI Key

GLZZACZYRVQYSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03186795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.128

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-2.26

Polar Surface Area

67.962

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.10

K978-0095 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Soluble Diversity Library (15920 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 K978-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0095?
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What is the minimum amount of K978-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0095
  • 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 K978-0095 available by request