1084-0059 Screening compound: N'-[(E)-(3-nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

1084-0059 Screening compound: N'-[(E)-(3-nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
1084-0059 Screening compound: N'-[(E)-(3-nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1084-0059
N'-[(E)-(3-nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-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

1084-0059

Molecular Formula

C15H15N5O3 (C15 H15 N5 O3)

Compound Name

N'-[(E)-(3-nitrophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

IUPAC name

N'-[(E)-(3-nitrophenyl)methylidene]-4567-tetrahydro-1H-indazole-3-carbohydrazide

SMILES

[O-][N+](c1cc(/C=N/NC(c2n[nH]c3c2CCCC3)=O)ccc1)=O

InChI

InChI=1S/C15H15N5O3/c21-15(14-12-6-1-2-7-13(12)17-18-14)19-16-9-10-4-3-5-11(8-10)20(22)23/h3-5,8-9H,1-2,6-7H2,(H,17,18)(H,19,21)

InChI Key

VNIXCUDZYLMTEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00611210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

2.481

Water Solubility, LogSw

-2.87

Polar Surface Area

93.889

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

1084-0059 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 1084-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1084-0059?
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What is the minimum amount of 1084-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1084-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1084-0059
  • 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 1084-0059 available by request