K978-0174 Screening compound: N~1~-(3-chlorophenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

K978-0174 Screening compound: N~1~-(3-chlorophenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide
K978-0174 Screening compound: N~1~-(3-chlorophenyl)-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 K978-0174
N~1~-(3-chlorophenyl)-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

K978-0174

Molecular Formula

C17H15ClN2O3 (C17 H15 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(C1C2C3C=CC1C3)=O)C2=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C17H15ClN2O3/c18-11-2-1-3-12(7-11)19-13(21)8-20-16(22)14-9-4-5-10(6-9)15(14)17(20)23/h1-5,7,9-10,14-15H,6,8H2,(H,19,21)

InChI Key

AMUTWRYVPCGTOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03186743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.77

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

2.199

Distribution Coefficient, logD

2.198

Water Solubility, LogSw

-3.24

Polar Surface Area

53.485

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

35.30

K978-0174 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Soluble Diversity Library (15920 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 K978-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0174?
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What is the minimum amount of K978-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0174
  • 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 K978-0174 available by request