1181-0460 Screening compound: N'-[(E)-(1H-1,3-benzodiazol-2-yl)methylidene]-3,5-dinitrobenzohydrazide

1181-0460 Screening compound: N'-[(E)-(1H-1,3-benzodiazol-2-yl)methylidene]-3,5-dinitrobenzohydrazide
1181-0460 Screening compound: N'-[(E)-(1H-1,3-benzodiazol-2-yl)methylidene]-3,5-dinitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1181-0460
N'-[(E)-(1H-1,3-benzodiazol-2-yl)methylidene]-3,5-dinitrobenzohydrazide

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

1181-0460

Molecular Formula

C15H10N6O5 (C15 H10 N6 O5)

Compound Name

N'-[(E)-(1H-1,3-benzodiazol-2-yl)methylidene]-3,5-dinitrobenzohydrazide

IUPAC name

N'-[(E)-(1H-13-benzodiazol-2-yl)methylidene]-35-dinitrobenzohydrazide

SMILES

[O-][N+](c1cc(C(N/N=C/c2nc(cccc3)c3[nH]2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C15H10N6O5/c22-15(9-5-10(20(23)24)7-11(6-9)21(25)26)19-16-8-14-17-12-3-1-2-4-13(12)18-14/h1-8H,(H,17,18)(H,19,22)

InChI Key

VHQDGMISZICSMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00579985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.28

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.683

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-3.16

Polar Surface Area

122.599

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1181-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1181-0460?
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What is the minimum amount of 1181-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1181-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1181-0460
  • 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 1181-0460 available by request