4772-0492 Screening compound: 2-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone

4772-0492 Screening compound: 2-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone
4772-0492 Screening compound: 2-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0492
2-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone

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

4772-0492

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

2-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-1-(2-hydroxyethyl)hydrazone

IUPAC name

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

SMILES

COc1c(/C=N/N(CCO)C(c2c3cccc2)=NS3(=O)=O)cccc1

InChI

InChI=1S/C17H17N3O4S/c1-24-15-8-4-2-6-13(15)12-18-20(10-11-21)17-14-7-3-5-9-16(14)25(22,23)19-17/h2-9,12,21H,10-11H2,1H3

InChI Key

MMEDIGDHMATECD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02614438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.692

Distribution Coefficient, logD

1.692

Water Solubility, LogSw

-2.46

Polar Surface Area

75.459

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 4772-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0492?
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What is the minimum amount of 4772-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0492
  • 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 4772-0492 available by request