K087-0526 Screening compound: N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)-2,4-dihydroxybenzohydrazide

K087-0526 Screening compound: N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)-2,4-dihydroxybenzohydrazide
K087-0526 Screening compound: N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)-2,4-dihydroxybenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0526
N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)-2,4-dihydroxybenzohydrazide

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

K087-0526

Molecular Formula

C28H30N4O5 (C28 H30 N4 O5)

Compound Name

N'~1~-((E)-1-{4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)-2,4-dihydroxybenzohydrazide

IUPAC name

N'-[(E)-[4-ethoxy-3-({6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}methyl)phenyl]methylidene]-24-dihydroxybenzohydrazide

SMILES

CCOc1c(CN(CC(C2)CN34)CC2C4=CC=CC3=O)cc(/C=N/NC(c(ccc(O)c2)c2O)=O)cc1

InChI

InChI=1S/C28H30N4O5/c1-2-37-26-9-6-18(13-29-30-28(36)23-8-7-22(33)12-25(23)34)10-21(26)17-31-14-19-11-20(16-31)24-4-3-5-27(35)32(24)15-19/h3-10,12-13,19-20,33-34H,2,11,14-17H2,1H3,(H,30,36)

InChI Key

FIAJTGZCPABZDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.56

Polar Surface Area

96.361

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

K087-0526 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K087-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0526?
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What is the minimum amount of K087-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0526
  • 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 K087-0526 available by request