4076-0025 Screening compound: N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide

4076-0025 Screening compound: N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide
4076-0025 Screening compound: N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0025
N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide

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

4076-0025

Molecular Formula

C15H17ClN4O2 (C15 H17 ClN4 O2)

Compound Name

N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide

IUPAC name

N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-yl)propanehydrazide

SMILES

C/C(/c(cc1)ccc1Cl)=N/NC(CCC(C(C)=NN1)C1=O)=O

InChI

InChI=1S/C15H17ClN4O2/c1-9(11-3-5-12(16)6-4-11)17-19-14(21)8-7-13-10(2)18-20-15(13)22/h3-6,13H,7-8H2,1-2H3,(H,19,21)(H,20,22)/t13-/m0/s1

InChI Key

HVQZDETXEIIANU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03016247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.094

Water Solubility, LogSw

-3.36

Polar Surface Area

70.830

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4076-0025 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4076-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0025?
Check Price and Availability of 4076-0025, 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 4076-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0025
  • 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 4076-0025 available by request