K089-0184 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)nicotinohydrazide

K089-0184 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)nicotinohydrazide
K089-0184 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)nicotinohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0184
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)nicotinohydrazide

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

K089-0184

Molecular Formula

C27H29N5O3 (C27 H29 N5 O3)

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)nicotinohydrazide

IUPAC name

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

SMILES

CCOc1c(CN(CC(C2)CN34)CC2C4=CC=CC3=O)cc(/C=N/NC(c2cnccc2)=O)cc1

InChI

InChI=1S/C27H29N5O3/c1-2-35-25-9-8-19(13-29-30-27(34)21-5-4-10-28-14-21)11-23(25)18-31-15-20-12-22(17-31)24-6-3-7-26(33)32(24)16-20/h3-11,13-14,20,22H,2,12,15-18H2,1H3,(H,30,34)

InChI Key

ZCJDXZGODYULRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01533465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-3.06

Polar Surface Area

71.714

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K089-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K089-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0184
  • 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 K089-0184 available by request