K978-0172 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-methylphenyl)acetamide

K978-0172 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-methylphenyl)acetamide
K978-0172 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0172
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-methylphenyl)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

K978-0172

Molecular Formula

C18H18N2O3 (C18 H18 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CN(C(C2C3C4C=CC2C4)=O)C3=O)=O)c1

InChI

InChI=1S/C18H18N2O3/c1-10-3-2-4-13(7-10)19-14(21)9-20-17(22)15-11-5-6-12(8-11)16(15)18(20)23/h2-7,11-12,15-16H,8-9H2,1H3,(H,19,21)

InChI Key

RJMIPBRRCGHPAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03040894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.805

Distribution Coefficient, logD

1.805

Water Solubility, LogSw

-2.38

Polar Surface Area

53.485

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

K978-0172 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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 K978-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0172?
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What is the minimum amount of K978-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0172
  • 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 K978-0172 available by request