5539-0033 Screening compound: N'~2~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-furohydrazide

5539-0033 Screening compound: N'~2~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-furohydrazide
5539-0033 Screening compound: N'~2~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-furohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5539-0033
N'~2~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-furohydrazide

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

5539-0033

Molecular Formula

C12H9N3O4S (C12 H9 N3 O4 S)

Compound Name

N'~2~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-furohydrazide

IUPAC name

N'-(11-dioxo-1lambda62-benzothiazol-3-yl)furan-2-carbohydrazide

SMILES

O=C(c1ccco1)NNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C12H9N3O4S/c16-12(9-5-3-7-19-9)14-13-11-8-4-1-2-6-10(8)20(17,18)15-11/h1-7H,(H,13,15)(H,14,16)

InChI Key

SKBLSYDEVVINQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02708796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.388

Distribution Coefficient, logD

0.361

Water Solubility, LogSw

-2.18

Polar Surface Area

87.528

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 5539-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5539-0033?
Check Price and Availability of 5539-0033, 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 5539-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5539-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5539-0033
  • 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 5539-0033 available by request