4076-0083 Screening compound: N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide

4076-0083 Screening compound: N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
4076-0083 Screening compound: N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0083
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-3-(3-nitrophenyl)-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

4076-0083

Molecular Formula

C19H17N5O5 (C19 H17 N5 O5)

Compound Name

N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide

IUPAC name

N'-[(E)-(34-dimethoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide

SMILES

COc(ccc(/C=N/NC(c1cc(-c2cccc([N+]([O-])=O)c2)n[nH]1)=O)c1)c1OC

InChI

InChI=1S/C19H17N5O5/c1-28-17-7-6-12(8-18(17)29-2)11-20-23-19(25)16-10-15(21-22-16)13-4-3-5-14(9-13)24(26)27/h3-11H,1-2H3,(H,21,22)(H,23,25)

InChI Key

UMKFQCAEZQPFRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01915157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.62

Polar Surface Area

106.686

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 4076-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0083?
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What is the minimum amount of 4076-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0083
  • 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 4076-0083 available by request