K087-0218 Screening compound: 4-tert-butyl-N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]benzohydrazide

K087-0218 Screening compound: 4-tert-butyl-N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]benzohydrazide
K087-0218 Screening compound: 4-tert-butyl-N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0218
4-tert-butyl-N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]benzohydrazide

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

K087-0218

Molecular Formula

C28H31ClN2O3 (C28 H31 ClN2 O3)

Compound Name

4-tert-butyl-N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]benzohydrazide

IUPAC name

4-tert-butyl-N'-[(E)-{3-[(4-chloro-35-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]benzohydrazide

SMILES

CC(C)(C)c(cc1)ccc1C(N/N=C/c(cc1)cc(COc(cc2C)cc(C)c2Cl)c1OC)=O

InChI

InChI=1S/C28H31ClN2O3/c1-18-13-24(14-19(2)26(18)29)34-17-22-15-20(7-12-25(22)33-6)16-30-31-27(32)21-8-10-23(11-9-21)28(3,4)5/h7-16H,17H2,1-6H3,(H,31,32)

InChI Key

SLBZFESPNXUQOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.876

Distribution Coefficient, logD

7.874

Water Solubility, LogSw

-6.66

Polar Surface Area

50.412

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K087-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0218?
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What is the minimum amount of K087-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0218
  • 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 K087-0218 available by request