4994-0447 Screening compound: 4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone

4994-0447 Screening compound: 4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone
4994-0447 Screening compound: 4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4994-0447
4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone

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

4994-0447

Molecular Formula

C15H12ClN3O2S (C15 H12 ClN3 O2 S)

Compound Name

4-chlorobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone

IUPAC name

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

SMILES

CN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c(cc1)ccc1Cl

InChI

InChI=1S/C15H12ClN3O2S/c1-19(17-10-11-6-8-12(16)9-7-11)15-13-4-2-3-5-14(13)22(20,21)18-15/h2-10H,1H3

InChI Key

ZQKAJTXYMXLPJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.517

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-3.42

Polar Surface Area

51.426

Acid Dissociation Constant (pKa)

30.12

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 4994-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4994-0447?
Check Price and Availability of 4994-0447, 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 4994-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4994-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4994-0447
  • 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 4994-0447 available by request