4076-0080 Screening compound: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide

4076-0080 Screening compound: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
4076-0080 Screening compound: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0080
N'-[(E)-(2-hydroxy-3-methoxyphenyl)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

4076-0080

Molecular Formula

C18H15N5O5 (C18 H15 N5 O5)

Compound Name

N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide

IUPAC name

N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide

SMILES

COc1cccc(/C=N/NC(c2cc(-c3cccc([N+]([O-])=O)c3)n[nH]2)=O)c1O

InChI

InChI=1S/C18H15N5O5/c1-28-16-7-3-5-12(17(16)24)10-19-22-18(25)15-9-14(20-21-15)11-4-2-6-13(8-11)23(26)27/h2-10,24H,1H3,(H,20,21)(H,22,25)

InChI Key

YWYPVHBKJGDTQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01915178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.71

Polar Surface Area

114.535

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 4076-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0080?
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What is the minimum amount of 4076-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0080
  • 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 4076-0080 available by request