5408-2061 Screening compound: N'-[(E)-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-4-methylbenzene-1-sulfonohydrazide

5408-2061 Screening compound: N'-[(E)-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-4-methylbenzene-1-sulfonohydrazide
5408-2061 Screening compound: N'-[(E)-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-4-methylbenzene-1-sulfonohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-2061
N'-[(E)-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-4-methylbenzene-1-sulfonohydrazide

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

5408-2061

Molecular Formula

C17H18N4O3S (C17 H18 N4 O3 S)

Compound Name

N'-[(E)-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-4-methylbenzene-1-sulfonohydrazide

IUPAC name

N'-[(E)-(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)methylidene]-4-methylbenzene-1-sulfonohydrazide

SMILES

Cc(cc1)ccc1S(N/N=C/c(cc1)cc(N2C)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C17H18N4O3S/c1-12-4-7-14(8-5-12)25(23,24)19-18-11-13-6-9-15-16(10-13)21(3)17(22)20(15)2/h4-11,19H,1-3H3

InChI Key

ISFYUOQLELUTES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03136996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.491

Distribution Coefficient, logD

0.258

Water Solubility, LogSw

-3.02

Polar Surface Area

68.513

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 5408-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-2061?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-2061
  • 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 5408-2061 available by request