3033-3947 Screening compound: 2-nitrobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone

3033-3947 Screening compound: 2-nitrobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone
3033-3947 Screening compound: 2-nitrobenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-methylhydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-3947
2-nitrobenzaldehyde 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

3033-3947

Molecular Formula

C15H12N4O4S (C15 H12 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C15H12N4O4S/c1-18(16-10-11-6-2-4-8-13(11)19(20)21)15-12-7-3-5-9-14(12)24(22,23)17-15/h2-10H,1H3

InChI Key

JWFCIYUATFIWCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05150203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

1.995

Water Solubility, LogSw

-2.61

Polar Surface Area

84.506

Acid Dissociation Constant (pKa)

30.12

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 3033-3947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-3947?
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What is the minimum amount of 3033-3947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-3947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-3947
  • 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 3033-3947 available by request