5097-4508 Screening compound: 2-[2-[(E)-1-(2,3-dihydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide

5097-4508 Screening compound: 2-[2-[(E)-1-(2,3-dihydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide
5097-4508 Screening compound: 2-[2-[(E)-1-(2,3-dihydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5097-4508
2-[2-[(E)-1-(2,3-dihydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide

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

5097-4508

Molecular Formula

C17H14N4O4S (C17 H14 N4 O4 S)

Compound Name

2-[2-[(E)-1-(2,3-dihydroxyphenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]ethyl cyanide

IUPAC name

3-[(2E)-2-[(23-dihydroxyphenyl)methylidene]-1-(11-dioxo-1lambda62-benzothiazol-3-yl)hydrazin-1-yl]propanenitrile

SMILES

N#CCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c(cccc1O)c1O

InChI

InChI=1S/C17H14N4O4S/c18-9-4-10-21(19-11-12-5-3-7-14(22)16(12)23)17-13-6-1-2-8-15(13)26(24,25)20-17/h1-3,5-8,11,22-23H,4,10H2

InChI Key

HVUBFAZBFQFTKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04083601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.308

Distribution Coefficient, logD

1.305

Water Solubility, LogSw

-2.20

Polar Surface Area

100.692

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 5097-4508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5097-4508?
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What is the minimum amount of 5097-4508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5097-4508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5097-4508
  • 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 5097-4508 available by request