K089-0192 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-nitrobenzohydrazide

K089-0192 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-nitrobenzohydrazide
K089-0192 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-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0192
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-nitrobenzohydrazide

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

K089-0192

Molecular Formula

C28H29N5O5 (C28 H29 N5 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-nitrobenzohydrazide

IUPAC name

N'-[(E)-[4-ethoxy-3-({6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}methyl)phenyl]methylidene]-2-nitrobenzohydrazide

SMILES

CCOc1c(CN(CC(C2)CN34)CC2C4=CC=CC3=O)cc(/C=N/NC(c(cccc2)c2[N+]([O-])=O)=O)cc1

InChI

InChI=1S/C28H29N5O5/c1-2-38-26-11-10-19(14-29-30-28(35)23-6-3-4-7-25(23)33(36)37)12-22(26)18-31-15-20-13-21(17-31)24-8-5-9-27(34)32(24)16-20/h3-12,14,20-21H,2,13,15-18H2,1H3,(H,30,35)

InChI Key

SENOGFOURLIJBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.08

Polar Surface Area

95.277

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with K089-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K089-0192?
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What is the minimum amount of K089-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0192
  • 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 K089-0192 available by request