K089-0198 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-methylbenzohydrazide

K089-0198 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-methylbenzohydrazide
K089-0198 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-methylbenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0198
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-methylbenzohydrazide

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

K089-0198

Molecular Formula

C29H32N4O3 (C29 H32 N4 O3)

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-methylbenzohydrazide

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-methylbenzohydrazide

SMILES

CCOc1c(CN(CC(C2)CN34)CC2C4=CC=CC3=O)cc(/C=N/NC(c2c(C)cccc2)=O)cc1

InChI

InChI=1S/C29H32N4O3/c1-3-36-27-12-11-21(15-30-31-29(35)25-8-5-4-7-20(25)2)13-24(27)19-32-16-22-14-23(18-32)26-9-6-10-28(34)33(26)17-22/h4-13,15,22-23H,3,14,16-19H2,1-2H3,(H,31,35)

InChI Key

KHZUMTOBDYTVPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.31

Polar Surface Area

62.196

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

K089-0198 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K089-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K089-0198?
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What is the minimum amount of K089-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0198
  • 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 K089-0198 available by request