8003-3077 Screening compound: 2-hydroxy-3-methoxybenzaldehyde 1-methyl-1-(6-nitro-1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

8003-3077 Screening compound: 2-hydroxy-3-methoxybenzaldehyde 1-methyl-1-(6-nitro-1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone
8003-3077 Screening compound: 2-hydroxy-3-methoxybenzaldehyde 1-methyl-1-(6-nitro-1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3077
2-hydroxy-3-methoxybenzaldehyde 1-methyl-1-(6-nitro-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

8003-3077

Molecular Formula

C16H14N4O6S (C16 H14 N4 O6 S)

Compound Name

2-hydroxy-3-methoxybenzaldehyde 1-methyl-1-(6-nitro-1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

IUPAC name

3-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]-1-methylhydrazin-1-yl]-6-nitro-1lambda62-benzothiazole-11-dione

SMILES

CN(C(c(cc1)c2cc1[N+]([O-])=O)=NS2(=O)=O)/N=C/c(cccc1OC)c1O

InChI

InChI=1S/C16H14N4O6S/c1-19(17-9-10-4-3-5-13(26-2)15(10)21)16-12-7-6-11(20(22)23)8-14(12)27(24,25)18-16/h3-9,21H,1-2H3

InChI Key

PNUBOSRTBYFICN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00499416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-2.51

Polar Surface Area

107.917

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8003-3077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3077?
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What is the minimum amount of 8003-3077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3077
  • 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 8003-3077 available by request