K978-0072 Screening compound: 4-[2-(4-methylpiperidino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

K978-0072 Screening compound: 4-[2-(4-methylpiperidino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
K978-0072 Screening compound: 4-[2-(4-methylpiperidino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0072
4-[2-(4-methylpiperidino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

K978-0072

Molecular Formula

C17H22N2O3 (C17 H22 N2 O3)

Compound Name

4-[2-(4-methylpiperidino)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

CC(CC1)CCN1C(CN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C17H22N2O3/c1-10-4-6-18(7-5-10)13(20)9-19-16(21)14-11-2-3-12(8-11)15(14)17(19)22/h2-3,10-12,14-15H,4-9H2,1H3

InChI Key

LNAUUWKVKBULFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.704

Distribution Coefficient, logD

0.704

Water Solubility, LogSw

-0.71

Polar Surface Area

46.728

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

70.59

K978-0072 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 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 K978-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0072?
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What is the minimum amount of K978-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0072
  • 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 K978-0072 available by request