0712-0079 Screening compound: 2-hydroxy-5-nitrobenzaldehyde 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone

0712-0079 Screening compound: 2-hydroxy-5-nitrobenzaldehyde 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
0712-0079 Screening compound: 2-hydroxy-5-nitrobenzaldehyde 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0712-0079
2-hydroxy-5-nitrobenzaldehyde 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone

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

0712-0079

Molecular Formula

C23H17N7O3 (C23 H17 N7 O3)

Compound Name

2-hydroxy-5-nitrobenzaldehyde 1-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone

IUPAC name

2-[(E)-(2-{5-benzyl-5H-[124]triazino[56-b]indol-3-yl}hydrazin-1-ylidene)methyl]-4-nitrophenol

SMILES

[O-][N+](c(cc1)cc(/C=N/Nc2nnc(c(cccc3)c3n3Cc4ccccc4)c3n2)c1O)=O

InChI

InChI=1S/C23H17N7O3/c31-20-11-10-17(30(32)33)12-16(20)13-24-27-23-25-22-21(26-28-23)18-8-4-5-9-19(18)29(22)14-15-6-2-1-3-7-15/h1-13,31H,14H2,(H,25,27,28)

InChI Key

VSCZAUKTCNNUCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00636570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

4.111

Water Solubility, LogSw

-4.79

Polar Surface Area

106.457

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.35

References: we are preparing a list of scientific research reports with 0712-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0712-0079?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0712-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0712-0079
  • 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 0712-0079 available by request