K087-0530 Screening compound: N'~3~-((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)-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide

K087-0530 Screening compound: N'~3~-((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)-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
K087-0530 Screening compound: N'~3~-((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)-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0530
N'~3~-((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)-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide

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

K087-0530

Molecular Formula

C26H29N7O5 (C26 H29 N7 O5)

Compound Name

N'~3~-((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)-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide

IUPAC name

N'-[(E)-[4-ethoxy-3-({6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}methyl)phenyl]methylidene]-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide

SMILES

CCOc1c(CN(CC(C2)CN34)CC2C4=CC=CC3=O)cc(/C=N/NC(c2nn(C)cc2[N+]([O-])=O)=O)cc1

InChI

InChI=1S/C26H29N7O5/c1-3-38-23-8-7-17(11-27-28-26(35)25-22(33(36)37)16-30(2)29-25)9-20(23)15-31-12-18-10-19(14-31)21-5-4-6-24(34)32(21)13-18/h4-9,11,16,18-19H,3,10,12-15H2,1-2H3,(H,28,35)

InChI Key

ZHBCDEBRWMTUNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-2.83

Polar Surface Area

110.632

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with K087-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0530?
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What is the minimum amount of K087-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0530
  • 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 K087-0530 available by request