0896-8825 Screening compound: N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-phenoxypropanehydrazide

0896-8825 Screening compound: N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-phenoxypropanehydrazide
0896-8825 Screening compound: N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-phenoxypropanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-8825
N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-phenoxypropanehydrazide

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

0896-8825

Molecular Formula

C17H14N4O5 (C17 H14 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N/N=C(\c(cc(cc1)[N+]([O-])=O)c1N1)/C1=O)=O)Oc1ccccc1

InChI

InChI=1S/C17H14N4O5/c1-10(26-12-5-3-2-4-6-12)16(22)20-19-15-13-9-11(21(24)25)7-8-14(13)18-17(15)23/h2-10H,1H3,(H,20,22)(H,18,19,23)/t10-/m0/s1

InChI Key

DCARHKHQGVMLMR-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01998672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-3.41

Polar Surface Area

99.535

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

0896-8825 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0896-8825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-8825?
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What is the minimum amount of 0896-8825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-8825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-8825
  • 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 0896-8825 available by request