8001-8926 Screening compound: 1-(3-nitro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-1-yl)acetone

8001-8926 Screening compound: 1-(3-nitro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-1-yl)acetone
8001-8926 Screening compound: 1-(3-nitro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-1-yl)acetone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8926
1-(3-nitro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-1-yl)acetone

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

8001-8926

Molecular Formula

C6H6N6O3 (C6 H6 N6 O3)

Compound Name

1-(3-nitro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-1-yl)acetone

IUPAC name

1-{3-nitro-1H-[124]triazolo[32-c][124]triazol-1-yl}propan-2-one

SMILES

CC(Cn(c1ncnn11)nc1[N+]([O-])=O)=O

InChI

InChI=1S/C6H6N6O3/c1-4(13)2-10-5-7-3-8-11(5)6(9-10)12(14)15/h3H,2H2,1H3

InChI Key

MLAZWHMNUOUNGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00737550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.202

Distribution Coefficient, logD

-1.202

Water Solubility, LogSw

-0.75

Polar Surface Area

84.157

Acid Dissociation Constant (pKa)

16.71

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8001-8926 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8001-8926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8926?
Check Price and Availability of 8001-8926, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8001-8926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8926
  • 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 8001-8926 available by request