K089-0207 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)-4-fluorobenzohydrazide

K089-0207 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)-4-fluorobenzohydrazide
K089-0207 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)-4-fluorobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0207
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)-4-fluorobenzohydrazide

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

K089-0207

Molecular Formula

C28H29FN4O3 (C28 H29 FN4 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)-4-fluorobenzohydrazide

IUPAC name

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

SMILES

CCOc1c(CN(CC(C2)CN34)CC2C4=CC=CC3=O)cc(/C=N/NC(c(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C28H29FN4O3/c1-2-36-26-11-6-19(14-30-31-28(35)21-7-9-24(29)10-8-21)12-23(26)18-32-15-20-13-22(17-32)25-4-3-5-27(34)33(25)16-20/h3-12,14,20,22H,2,13,15-18H2,1H3,(H,31,35)

InChI Key

VPHJKTKQHZWNBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.56

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

4.301

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-4.26

Polar Surface Area

62.196

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

K089-0207 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 K089-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K089-0207?
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What is the minimum amount of K089-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0207
  • 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 K089-0207 available by request