K087-0424 Screening compound: N-[(1Z)-1-{N'-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

K087-0424 Screening compound: N-[(1Z)-1-{N'-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide
K087-0424 Screening compound: N-[(1Z)-1-{N'-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0424
N-[(1Z)-1-{N'-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-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

K087-0424

Molecular Formula

C25H24N4O5 (C25 H24 N4 O5)

Compound Name

N-[(1Z)-1-{N'-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

IUPAC name

N-[(1Z)-1-{N'-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

SMILES

Cc1ncc(CO)c(/C=N/NC(/C(/NC(c2ccccc2)=O)=C/c(cc2)ccc2OC)=O)c1O

InChI

InChI=1S/C25H24N4O5/c1-16-23(31)21(19(15-30)13-26-16)14-27-29-25(33)22(12-17-8-10-20(34-2)11-9-17)28-24(32)18-6-4-3-5-7-18/h3-14,30-31H,15H2,1-2H3,(H,28,32)(H,29,33)

InChI Key

XTDYKPSMFIWQOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

1.499

Water Solubility, LogSw

-3.34

Polar Surface Area

107.331

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K087-0424 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K087-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0424?
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What is the minimum amount of K087-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0424
  • 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 K087-0424 available by request