K087-0317 Screening compound: N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]-4-(1H-indol-3-yl)butanehydrazide

K087-0317 Screening compound: N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]-4-(1H-indol-3-yl)butanehydrazide
K087-0317 Screening compound: N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]-4-(1H-indol-3-yl)butanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0317
N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]-4-(1H-indol-3-yl)butanehydrazide

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

K087-0317

Molecular Formula

C29H30ClN3O3 (C29 H30 ClN3 O3)

Compound Name

N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]-4-(1H-indol-3-yl)butanehydrazide

IUPAC name

N'-[(E)-{3-[(4-chloro-35-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]-4-(1H-indol-3-yl)butanehydrazide

SMILES

Cc1cc(OCc(cc(/C=N/NC(CCCc2c[nH]c3c2cccc3)=O)cc2)c2OC)cc(C)c1Cl

InChI

InChI=1S/C29H30ClN3O3/c1-19-13-24(14-20(2)29(19)30)36-18-23-15-21(11-12-27(23)35-3)16-32-33-28(34)10-6-7-22-17-31-26-9-5-4-8-25(22)26/h4-5,8-9,11-17,31H,6-7,10,18H2,1-3H3,(H,33,34)

InChI Key

FBXCYVPVXUZILR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.603

Distribution Coefficient, logD

6.603

Water Solubility, LogSw

-6.51

Polar Surface Area

60.070

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K087-0317 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K087-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0317?
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What is the minimum amount of K087-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0317
  • 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 K087-0317 available by request