K087-0499 Screening compound: N'-[(E)-{4-methoxy-3-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]phenyl}methylidene]-1-methylpiperidine-2-carbohydrazide

K087-0499 Screening compound: N'-[(E)-{4-methoxy-3-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]phenyl}methylidene]-1-methylpiperidine-2-carbohydrazide
K087-0499 Screening compound: N'-[(E)-{4-methoxy-3-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]phenyl}methylidene]-1-methylpiperidine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0499
N'-[(E)-{4-methoxy-3-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]phenyl}methylidene]-1-methylpiperidine-2-carbohydrazide

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

K087-0499

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

N'-[(E)-{4-methoxy-3-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]phenyl}methylidene]-1-methylpiperidine-2-carbohydrazide

IUPAC name

N'-[(E)-{4-methoxy-3-[(1234-tetrahydroquinolin-1-yl)methyl]phenyl}methylidene]-1-methylpiperidine-2-carbohydrazide

SMILES

CN(CCCC1)C1C(N/N=C/c(cc1)cc(CN(CCC2)c3c2cccc3)c1OC)=O

InChI

InChI=1S/C25H32N4O2/c1-28-14-6-5-11-23(28)25(30)27-26-17-19-12-13-24(31-2)21(16-19)18-29-15-7-9-20-8-3-4-10-22(20)29/h3-4,8,10,12-13,16-17,23H,5-7,9,11,14-15,18H2,1-2H3,(H,27,30)/t23-/m0/s1

InChI Key

AHIYWUBEYRSYKX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01535425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.787

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.90

Polar Surface Area

49.326

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K087-0499 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K087-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0499?
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What is the minimum amount of K087-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0499
  • 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 K087-0499 available by request