K087-0416 Screening compound: N-(1-{N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-methylprop-1-en-1-yl)benzamide

K087-0416 Screening compound: N-(1-{N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-methylprop-1-en-1-yl)benzamide
K087-0416 Screening compound: N-(1-{N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-methylprop-1-en-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0416
N-(1-{N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]hydrazinecarbonyl}-2-methylprop-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

K087-0416

Molecular Formula

C29H30ClN3O4 (C29 H30 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)=C(C(N/N=C/c(cc1)cc(COc(cc2C)cc(C)c2Cl)c1OC)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C29H30ClN3O4/c1-18(2)27(32-28(34)22-9-7-6-8-10-22)29(35)33-31-16-21-11-12-25(36-5)23(15-21)17-37-24-13-19(3)26(30)20(4)14-24/h6-16H,17H2,1-5H3,(H,32,34)(H,33,35)

InChI Key

CUAREZBPLKCQQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.284

Distribution Coefficient, logD

3.914

Water Solubility, LogSw

-6.39

Polar Surface Area

75.001

Acid Dissociation Constant (pKa)

5.03

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with K087-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0416?
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What is the minimum amount of K087-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0416
  • 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 K087-0416 available by request