4489-8524 Screening compound: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

4489-8524 Screening compound: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone
4489-8524 Screening compound: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-8524
2-hydroxy-3-methoxy-5-nitrobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

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

4489-8524

Molecular Formula

C15H12N4O6S (C15 H12 N4 O6 S)

Compound Name

2-hydroxy-3-methoxy-5-nitrobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

IUPAC name

3-[(2E)-2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]hydrazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

COc1cc([N+]([O-])=O)cc(/C=N/NC(c2c3cccc2)=NS3(=O)=O)c1O

InChI

InChI=1S/C15H12N4O6S/c1-25-12-7-10(19(21)22)6-9(14(12)20)8-16-17-15-11-4-2-3-5-13(11)26(23,24)18-15/h2-8,20H,1H3,(H,17,18)

InChI Key

VPZFHVNFMKBJDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00490592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

1.073

Water Solubility, LogSw

-2.83

Polar Surface Area

119.560

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 4489-8524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-8524?
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What is the minimum amount of 4489-8524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-8524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-8524
  • 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 4489-8524 available by request