8011-1454 Screening compound: N-(2,2,2-trinitroethyl)-N-[4-({4-[(2,2,2-trinitroethyl)amino]-1,2,5-oxadiazol-3-yl}-NON-azoxy)-1,2,5-oxadiazol-3-yl]amine

8011-1454 Screening compound: N-(2,2,2-trinitroethyl)-N-[4-({4-[(2,2,2-trinitroethyl)amino]-1,2,5-oxadiazol-3-yl}-NON-azoxy)-1,2,5-oxadiazol-3-yl]amine
8011-1454 Screening compound: N-(2,2,2-trinitroethyl)-N-[4-({4-[(2,2,2-trinitroethyl)amino]-1,2,5-oxadiazol-3-yl}-NON-azoxy)-1,2,5-oxadiazol-3-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1454
N-(2,2,2-trinitroethyl)-N-[4-({4-[(2,2,2-trinitroethyl)amino]-1,2,5-oxadiazol-3-yl}-NON-azoxy)-1,2,5-oxadiazol-3-yl]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

8011-1454

Molecular Formula

C8H6N14O15 (C8 H6 N14 O15)

Compound Name

N-(2,2,2-trinitroethyl)-N-[4-({4-[(2,2,2-trinitroethyl)amino]-1,2,5-oxadiazol-3-yl}-NON-azoxy)-1,2,5-oxadiazol-3-yl]amine

IUPAC name

(1Z)-bis({4-[(222-trinitroethyl)amino]-125-oxadiazol-3-yl})diazen-1-ium-1-olate

SMILES

[O-][N+](C(CNc1nonc1/N=[N+](/c1nonc1NCC([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O)\[O-])([N+]([O-])=O)[N+]([O-])=O)=O

InChI

InChI=1S/C8H6N14O15/c23-16(6-5(14-37-15-6)10-2-8(20(30)31,21(32)33)22(34)35)11-4-3(12-36-13-4)9-1-7(17(24)25,18(26)27)19(28)29/h1-2H2,(H,9,12)(H,10,14)

InChI Key

AFSDONVUMZGTJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.22

Hydrogen Bond Acceptors Count

33.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

29

Partition Coefficient, logP

-1.709

Distribution Coefficient, logD

-1.709

Water Solubility, LogSw

-0.83

Polar Surface Area

333.132

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

-5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8011-1454 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1454?
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What is the minimum amount of 8011-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1454
  • 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 8011-1454 available by request