K087-0418 Screening compound: N-(1-{N'-[(E)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]hydrazinecarbonyl}-2-methylprop-1-en-1-yl)benzamide

K087-0418 Screening compound: N-(1-{N'-[(E)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]hydrazinecarbonyl}-2-methylprop-1-en-1-yl)benzamide
K087-0418 Screening compound: N-(1-{N'-[(E)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)methylidene]hydrazinecarbonyl}-2-methylprop-1-en-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0418
N-(1-{N'-[(E)-(3-{[4-(4-fluorophenyl)piperazin-1-yl]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

K087-0418

Molecular Formula

C31H34FN5O3 (C31 H34 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)=C(C(N/N=C/c(cc1)cc(CN(CC2)CCN2c(cc2)ccc2F)c1OC)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C31H34FN5O3/c1-22(2)29(34-30(38)24-7-5-4-6-8-24)31(39)35-33-20-23-9-14-28(40-3)25(19-23)21-36-15-17-37(18-16-36)27-12-10-26(32)11-13-27/h4-14,19-20H,15-18,21H2,1-3H3,(H,34,38)(H,35,39)

InChI Key

CFYQFBCMIZKIRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-4.41

Polar Surface Area

74.767

Acid Dissociation Constant (pKa)

5.03

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with K087-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0418?
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What is the minimum amount of K087-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0418
  • 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 K087-0418 available by request