K978-0383 Screening compound: 4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

K978-0383 Screening compound: 4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
K978-0383 Screening compound: 4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0383
4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-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

K978-0383

Molecular Formula

C19H24N2O5 (C19 H24 N2 O5)

Compound Name

4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(3-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxopropyl)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C19H24N2O5/c22-14(20-7-4-19(5-8-20)25-9-10-26-19)3-6-21-17(23)15-12-1-2-13(11-12)16(15)18(21)24/h1-2,12-13,15-16H,3-11H2

InChI Key

PSJYZZWGNJTOLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.307

Distribution Coefficient, logD

-0.307

Water Solubility, LogSw

-0.34

Polar Surface Area

61.144

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

73.70

K978-0383 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 K978-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0383?
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What is the minimum amount of K978-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0383
  • 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 K978-0383 available by request