8008-5419 Screening compound: N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-((E)-1-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]-3-nitrophenyl}methylidene)amine

8008-5419 Screening compound: N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-((E)-1-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]-3-nitrophenyl}methylidene)amine
8008-5419 Screening compound: N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-((E)-1-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]-3-nitrophenyl}methylidene)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5419
N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-((E)-1-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]-3-nitrophenyl}methylidene)amine

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

8008-5419

Molecular Formula

C15H10BrCl2N7O3 (C15 H10 BrCl2 N7 O3)

Compound Name

N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-((E)-1-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]-3-nitrophenyl}methylidene)amine

IUPAC name

(1E)-N1-({5-bromo-2-[(24-dichlorophenyl)methoxy]-3-nitrophenyl}methylidene)-1H-1234-tetrazole-15-diamine

SMILES

Nc1nnnn1/N=C/c1cc(Br)cc([N+]([O-])=O)c1OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C15H10BrCl2N7O3/c16-10-3-9(6-20-24-15(19)21-22-23-24)14(13(4-10)25(26)27)28-7-8-1-2-11(17)5-12(8)18/h1-6H,7H2,(H2,19,21,23)

InChI Key

QUSXMPIYFCEWIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00998884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.1

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

4.063

Distribution Coefficient, logD

4.063

Water Solubility, LogSw

-4.27

Polar Surface Area

110.281

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

References: we are preparing a list of scientific research reports with 8008-5419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5419?
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What is the minimum amount of 8008-5419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5419
  • 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 8008-5419 available by request