0712-0073 Screening compound: 2-[(E)-(2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

0712-0073 Screening compound: 2-[(E)-(2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol
0712-0073 Screening compound: 2-[(E)-(2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0712-0073
2-[(E)-(2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

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

0712-0073

Molecular Formula

C18H15N7O3 (C18 H15 N7 O3)

Compound Name

2-[(E)-(2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

IUPAC name

2-[(E)-(2-{5-ethyl-5H-[124]triazino[56-b]indol-3-yl}hydrazin-1-ylidene)methyl]-6-nitrophenol

SMILES

CCn1c2nc(N/N=C/c3cccc([N+]([O-])=O)c3O)nnc2c2c1cccc2

InChI

InChI=1S/C18H15N7O3/c1-2-24-13-8-4-3-7-12(13)15-17(24)20-18(23-21-15)22-19-10-11-6-5-9-14(16(11)26)25(27)28/h3-10,26H,2H2,1H3,(H,20,22,23)

InChI Key

BHQIKEBHIRZJMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00636563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.913

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.93

Polar Surface Area

105.084

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 0712-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0712-0073?
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What is the minimum amount of 0712-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0712-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0712-0073
  • 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 0712-0073 available by request