4533-0193 Screening compound: N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]-4-nitrobenzohydrazide

4533-0193 Screening compound: N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]-4-nitrobenzohydrazide
4533-0193 Screening compound: N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]-4-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4533-0193
N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]-4-nitrobenzohydrazide

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

4533-0193

Molecular Formula

C15H13N3O6 (C15 H13 N3 O6)

Compound Name

N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]-4-nitrobenzohydrazide

IUPAC name

N'-[(1E)-1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]-4-nitrobenzohydrazide

SMILES

C/C(/C(C(OC(C)=C1)=O)=C1O)=N\NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C15H13N3O6/c1-8-7-12(19)13(15(21)24-8)9(2)16-17-14(20)10-3-5-11(6-4-10)18(22)23/h3-7,19H,1-2H3,(H,17,20)

InChI Key

MGWLOALDSITMOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00520849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.28

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.578

Distribution Coefficient, logD

-2.328

Water Solubility, LogSw

-2.16

Polar Surface Area

106.127

Acid Dissociation Constant (pKa)

3.49

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4533-0193 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4533-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4533-0193?
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What is the minimum amount of 4533-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4533-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4533-0193
  • 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 4533-0193 available by request