4076-0074 Screening compound: 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide

4076-0074 Screening compound: 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
4076-0074 Screening compound: 3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0074
3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]-1H-pyrazole-5-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

4076-0074

Molecular Formula

C17H16N6O3 (C17 H16 N6 O3)

Compound Name

3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

3-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide

SMILES

C/C(/c1cccc([N+]([O-])=O)c1)=N/NC(c1cc(-c2cccn2C)n[nH]1)=O

InChI

InChI=1S/C17H16N6O3/c1-11(12-5-3-6-13(9-12)23(25)26)18-21-17(24)15-10-14(19-20-15)16-7-4-8-22(16)2/h3-10H,1-2H3,(H,19,20)(H,21,24)

InChI Key

XXIKIDXTAOPOJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02050127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.74

Polar Surface Area

93.130

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 4076-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0074?
Check Price and Availability of 4076-0074, 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 4076-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0074
  • 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 4076-0074 available by request