8014-9932 Screening compound: 1-methyl-3-nitro-5-(3-nitro-1H-1,2,4-triazol-1-yl)-1H-1,2,4-triazole

8014-9932 Screening compound: 1-methyl-3-nitro-5-(3-nitro-1H-1,2,4-triazol-1-yl)-1H-1,2,4-triazole
8014-9932 Screening compound: 1-methyl-3-nitro-5-(3-nitro-1H-1,2,4-triazol-1-yl)-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9932
1-methyl-3-nitro-5-(3-nitro-1H-1,2,4-triazol-1-yl)-1H-1,2,4-triazole

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

8014-9932

Molecular Formula

C5H4N8O4 (C5 H4 N8 O4)

Compound Name

1-methyl-3-nitro-5-(3-nitro-1H-1,2,4-triazol-1-yl)-1H-1,2,4-triazole

IUPAC name

1-methyl-3-nitro-5-(3-nitro-1H-124-triazol-1-yl)-1H-124-triazole

SMILES

Cn(c(-n(cn1)nc1[N+]([O-])=O)n1)nc1[N+]([O-])=O

InChI

InChI=1S/C5H4N8O4/c1-10-5(7-4(8-10)13(16)17)11-2-6-3(9-11)12(14)15/h2H,1H3

InChI Key

VYRFXZKUJPULKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.14

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.357

Distribution Coefficient, logD

-0.357

Water Solubility, LogSw

-0.70

Polar Surface Area

112.679

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8014-9932 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 8014-9932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9932?
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What is the minimum amount of 8014-9932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9932
  • 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 8014-9932 available by request