K087-0427 Screening compound: N-[(1Z)-1-{N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

K087-0427 Screening compound: N-[(1Z)-1-{N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide
K087-0427 Screening compound: N-[(1Z)-1-{N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0427
N-[(1Z)-1-{N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

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

K087-0427

Molecular Formula

C34H32ClN3O5 (C34 H32 ClN3 O5)

Compound Name

N-[(1Z)-1-{N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

IUPAC name

N-[(1Z)-1-{N'-[(E)-{3-[(4-chloro-35-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

SMILES

Cc1cc(OCc(cc(/C=N/NC(/C(/NC(c2ccccc2)=O)=C/c(cc2)ccc2OC)=O)cc2)c2OC)cc(C)c1Cl

InChI

InChI=1S/C34H32ClN3O5/c1-22-16-29(17-23(2)32(22)35)43-21-27-18-25(12-15-31(27)42-4)20-36-38-34(40)30(19-24-10-13-28(41-3)14-11-24)37-33(39)26-8-6-5-7-9-26/h5-20H,21H2,1-4H3,(H,37,39)(H,38,40)

InChI Key

PFFNYERDDKHQAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.192

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-6.52

Polar Surface Area

79.881

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.70

K087-0427 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with K087-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0427?
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What is the minimum amount of K087-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0427
  • 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 K087-0427 available by request