K087-0253 Screening compound: N'-[(Z)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]-3,4,5-trihydroxybenzohydrazide

K087-0253 Screening compound: N'-[(Z)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]-3,4,5-trihydroxybenzohydrazide
K087-0253 Screening compound: N'-[(Z)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]-3,4,5-trihydroxybenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0253
N'-[(Z)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]-3,4,5-trihydroxybenzohydrazide

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

K087-0253

Molecular Formula

C26H27FN4O5 (C26 H27 FN4 O5)

Compound Name

N'-[(Z)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]-3,4,5-trihydroxybenzohydrazide

IUPAC name

N'-[(Z)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]-345-trihydroxybenzohydrazide

SMILES

COc1c(CN(CC2)CCN2c(cc2)ccc2F)cc(/C=N\NC(c(cc2O)cc(O)c2O)=O)cc1

InChI

InChI=1S/C26H27FN4O5/c1-36-24-7-2-17(15-28-29-26(35)18-13-22(32)25(34)23(33)14-18)12-19(24)16-30-8-10-31(11-9-30)21-5-3-20(27)4-6-21/h2-7,12-15,32-34H,8-11,16H2,1H3,(H,29,35)

InChI Key

BYBFFADTDWEVTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.357

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.13

Polar Surface Area

98.753

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K087-0253 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K087-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0253?
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What is the minimum amount of K087-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0253
  • 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 K087-0253 available by request