8016-8212 Screening compound: 1-methyl-3-nitro-1H-1,2,4-triazol-5-yl {3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenyl} ether

8016-8212 Screening compound: 1-methyl-3-nitro-1H-1,2,4-triazol-5-yl {3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenyl} ether
8016-8212 Screening compound: 1-methyl-3-nitro-1H-1,2,4-triazol-5-yl {3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8212
1-methyl-3-nitro-1H-1,2,4-triazol-5-yl {3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenyl} ether

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

8016-8212

Molecular Formula

C12H10N8O6 (C12 H10 N8 O6)

Compound Name

1-methyl-3-nitro-1H-1,2,4-triazol-5-yl {3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenyl} ether

IUPAC name

1-methyl-5-{3-[(1-methyl-3-nitro-1H-124-triazol-5-yl)oxy]phenoxy}-3-nitro-1H-124-triazole

SMILES

Cn(c(Oc1cccc(Oc2nc([N+]([O-])=O)nn2C)c1)n1)nc1[N+]([O-])=O

InChI

InChI=1S/C12H10N8O6/c1-17-11(13-9(15-17)19(21)22)25-7-4-3-5-8(6-7)26-12-14-10(20(23)24)16-18(12)2/h3-6H,1-2H3

InChI Key

VFOJAQDUIBJLMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.26

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.187

Distribution Coefficient, logD

1.187

Water Solubility, LogSw

-1.91

Polar Surface Area

127.639

Acid Dissociation Constant (pKa)

29.46

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8016-8212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8212?
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What is the minimum amount of 8016-8212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8212
  • 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 8016-8212 available by request