4772-0482 Screening compound: 5-{[(E)-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methylhydrazono]methyl}-2-methoxyphenyl acetate

4772-0482 Screening compound: 5-{[(E)-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methylhydrazono]methyl}-2-methoxyphenyl acetate
4772-0482 Screening compound: 5-{[(E)-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methylhydrazono]methyl}-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0482
5-{[(E)-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methylhydrazono]methyl}-2-methoxyphenyl acetate

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

4772-0482

Molecular Formula

C18H17N3O5S (C18 H17 N3 O5 S)

Compound Name

5-{[(E)-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methylhydrazono]methyl}-2-methoxyphenyl acetate

IUPAC name

5-[(E)-[2-(11-dioxo-1lambda62-benzothiazol-3-yl)-2-methylhydrazin-1-ylidene]methyl]-2-methoxyphenyl acetate

SMILES

CC(Oc(cc(/C=N/N(C)C(c1c2cccc1)=NS2(=O)=O)cc1)c1OC)=O

InChI

InChI=1S/C18H17N3O5S/c1-12(22)26-16-10-13(8-9-15(16)25-3)11-19-21(2)18-14-6-4-5-7-17(14)27(23,24)20-18/h4-11H,1-3H3

InChI Key

TXZDNQAXEFOUBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.752

Distribution Coefficient, logD

1.752

Water Solubility, LogSw

-2.56

Polar Surface Area

79.894

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4772-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0482?
Check Price and Availability of 4772-0482, 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 4772-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0482
  • 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 4772-0482 available by request