K978-0067 Screening compound: 4-{2-[4-(4-nitrophenyl)piperazino]-2-oxoethyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

K978-0067 Screening compound: 4-{2-[4-(4-nitrophenyl)piperazino]-2-oxoethyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
K978-0067 Screening compound: 4-{2-[4-(4-nitrophenyl)piperazino]-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 K978-0067
4-{2-[4-(4-nitrophenyl)piperazino]-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

K978-0067

Molecular Formula

C21H22N4O5 (C21 H22 N4 O5)

Compound Name

4-{2-[4-(4-nitrophenyl)piperazino]-2-oxoethyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(CN(C(C1C2C3C=CC1C3)=O)C2=O)=O)=O

InChI

InChI=1S/C21H22N4O5/c26-17(12-24-20(27)18-13-1-2-14(11-13)19(18)21(24)28)23-9-7-22(8-10-23)15-3-5-16(6-4-15)25(29)30/h1-6,13-14,18-19H,7-12H2

InChI Key

FCQAGYYHYDSCFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.056

Distribution Coefficient, logD

1.056

Water Solubility, LogSw

-2.18

Polar Surface Area

83.370

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.60

K978-0067 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 K978-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0067?
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What is the minimum amount of K978-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0067
  • 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 K978-0067 available by request