0068-0009 Screening compound: N'-[(E)-(4-chlorophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide

0068-0009 Screening compound: N'-[(E)-(4-chlorophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
0068-0009 Screening compound: N'-[(E)-(4-chlorophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0068-0009
N'-[(E)-(4-chlorophenyl)methylidene]-2-oxopiperidine-3-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

0068-0009

Molecular Formula

C13H14ClN3O2 (C13 H14 ClN3 O2)

Compound Name

N'-[(E)-(4-chlorophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide

IUPAC name

N'-[(E)-(4-chlorophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide

SMILES

O=C(C(CCCN1)C1=O)N/N=C/c(cc1)ccc1Cl

InChI

InChI=1S/C13H14ClN3O2/c14-10-5-3-9(4-6-10)8-16-17-13(19)11-2-1-7-15-12(11)18/h3-6,8,11H,1-2,7H2,(H,15,18)(H,17,19)/t11-/m1/s1

InChI Key

ZTUVSMKXXNGKMH-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00227112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.530

Distribution Coefficient, logD

1.529

Water Solubility, LogSw

-2.87

Polar Surface Area

60.827

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

0068-0009 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0068-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0068-0009?
Check Price and Availability of 0068-0009, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0068-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0068-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0068-0009
  • 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 0068-0009 available by request