8008-8799 Screening compound: 2,6,10-trimethyl-3,7,11-trinitrotripyrazolo[1,5-a:1,5-c:1,5-e][1,3,5]triazine

8008-8799 Screening compound: 2,6,10-trimethyl-3,7,11-trinitrotripyrazolo[1,5-a:1,5-c:1,5-e][1,3,5]triazine
8008-8799 Screening compound: 2,6,10-trimethyl-3,7,11-trinitrotripyrazolo[1,5-a:1,5-c:1,5-e][1,3,5]triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8799
2,6,10-trimethyl-3,7,11-trinitrotripyrazolo[1,5-a:1,5-c:1,5-e][1,3,5]triazine

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

8008-8799

Molecular Formula

C12H9N9O6 (C12 H9 N9 O6)

Compound Name

2,6,10-trimethyl-3,7,11-trinitrotripyrazolo[1,5-a:1,5-c:1,5-e][1,3,5]triazine

IUPAC name

4914-trimethyl-3813-trinitro-156101115-hexaazatetracyclo[10.3.0.0^{26}.0^{711}]pentadeca-24791214-hexaene

SMILES

Cc(c([N+]([O-])=O)c1n2nc(C)c([N+]([O-])=O)c2n2nc3C)nn1c2c3[N+]([O-])=O

InChI

InChI=1S/C12H9N9O6/c1-4-7(19(22)23)10-16(13-4)11-8(20(24)25)5(2)15-18(11)12-9(21(26)27)6(3)14-17(10)12/h1-3H3

InChI Key

HVYXIBARTMOARE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00360879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.26

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

1.170

Distribution Coefficient, logD

1.170

Water Solubility, LogSw

-0.87

Polar Surface Area

138.520

Acid Dissociation Constant (pKa)

29.94

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8008-8799 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 8008-8799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8799?
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What is the minimum amount of 8008-8799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8799
  • 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 8008-8799 available by request