1936-2162 Screening compound: N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

1936-2162 Screening compound: N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
1936-2162 Screening compound: N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1936-2162
N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

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

1936-2162

Molecular Formula

C17H12N4O6 (C17 H12 N4 O6)

Compound Name

N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

IUPAC name

N'-[(3E)-5-nitro-2-oxo-23-dihydro-1H-indol-3-ylidene]-23-dihydro-14-benzodioxine-2-carbohydrazide

SMILES

[O-][N+](c(cc1)cc(/C2=N\NC(C3Oc(cccc4)c4OC3)=O)c1NC2=O)=O

InChI

InChI=1S/C17H12N4O6/c22-16(14-8-26-12-3-1-2-4-13(12)27-14)20-19-15-10-7-9(21(24)25)5-6-11(10)18-17(15)23/h1-7,14H,8H2,(H,20,22)(H,18,19,23)/t14-/m0/s1

InChI Key

CMBYKYPGYZZQKJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00644113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-3.23

Polar Surface Area

108.183

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 1936-2162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1936-2162?
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What is the minimum amount of 1936-2162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1936-2162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1936-2162
  • 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 1936-2162 available by request