3680-0019 Screening compound: 2,5-dimethoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

3680-0019 Screening compound: 2,5-dimethoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone
3680-0019 Screening compound: 2,5-dimethoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3680-0019
2,5-dimethoxybenzaldehyde 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

3680-0019

Molecular Formula

C16H15N3O4S (C16 H15 N3 O4 S)

Compound Name

2,5-dimethoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

IUPAC name

3-[(2E)-2-[(25-dimethoxyphenyl)methylidene]hydrazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

COc(cc1)cc(/C=N/NC(c2c3cccc2)=NS3(=O)=O)c1OC

InChI

InChI=1S/C16H15N3O4S/c1-22-12-7-8-14(23-2)11(9-12)10-17-18-16-13-5-3-4-6-15(13)24(20,21)19-16/h3-10H,1-2H3,(H,18,19)

InChI Key

ZYUMSTOKYLQFMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-3.36

Polar Surface Area

78.243

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3680-0019 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 3680-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3680-0019?
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What is the minimum amount of 3680-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3680-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3680-0019
  • 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 3680-0019 available by request