4994-0521 Screening compound: 1-naphthaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone

4994-0521 Screening compound: 1-naphthaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone
4994-0521 Screening compound: 1-naphthaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4994-0521
1-naphthaldehyde 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

4994-0521

Molecular Formula

C19H15N3O2S (C19 H15 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c1cccc2ccccc12

InChI

InChI=1S/C19H15N3O2S/c1-22(19-17-11-4-5-12-18(17)25(23,24)21-19)20-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-13H,1H3

InChI Key

CACYPGFVZQWRKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

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

3.322

Distribution Coefficient, logD

3.322

Water Solubility, LogSw

-3.71

Polar Surface Area

51.154

Acid Dissociation Constant (pKa)

30.12

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 4994-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4994-0521?
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What is the minimum amount of 4994-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4994-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4994-0521
  • 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 4994-0521 available by request