4772-0405 Screening compound: 4-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

4772-0405 Screening compound: 4-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone
4772-0405 Screening compound: 4-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0405
4-methoxybenzaldehyde 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

4772-0405

Molecular Formula

C15H13N3O3S (C15 H13 N3 O3 S)

Compound Name

4-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

IUPAC name

3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

COc1ccc(/C=N/NC(c2c3cccc2)=NS3(=O)=O)cc1

InChI

InChI=1S/C15H13N3O3S/c1-21-12-8-6-11(7-9-12)10-16-17-15-13-4-2-3-5-14(13)22(19,20)18-15/h2-10H,1H3,(H,17,18)

InChI Key

XPROMGDXJNSRLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00813159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.166

Distribution Coefficient, logD

1.805

Water Solubility, LogSw

-2.83

Polar Surface Area

70.613

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4772-0405 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 4772-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0405?
Check Price and Availability of 4772-0405, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4772-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0405
  • 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 4772-0405 available by request