8010-0017 Screening compound: 4-(nitroazanidyl)-1-{[(1,3,4-thiadiazol-2-yl)carbamoyl]methyl}-1H-1,2,4-triazol-4-ium

8010-0017 Screening compound: 4-(nitroazanidyl)-1-{[(1,3,4-thiadiazol-2-yl)carbamoyl]methyl}-1H-1,2,4-triazol-4-ium
8010-0017 Screening compound: 4-(nitroazanidyl)-1-{[(1,3,4-thiadiazol-2-yl)carbamoyl]methyl}-1H-1,2,4-triazol-4-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0017
4-(nitroazanidyl)-1-{[(1,3,4-thiadiazol-2-yl)carbamoyl]methyl}-1H-1,2,4-triazol-4-ium

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

8010-0017

Molecular Formula

C6H6N8O3S (C6 H6 N8 O3 S)

Compound Name

4-(nitroazanidyl)-1-{[(1,3,4-thiadiazol-2-yl)carbamoyl]methyl}-1H-1,2,4-triazol-4-ium

IUPAC name

4-(nitroazanidyl)-1-{[(134-thiadiazol-2-yl)carbamoyl]methyl}-1H-124-triazol-4-ium

SMILES

[O-][N+]([N-][n+]1cn(CC(Nc2nncs2)=O)nc1)=O

InChI

InChI=1S/C6H6N8O3S/c15-5(9-6-10-7-3-18-6)1-12-4-13(2-8-12)11-14(16)17/h2-4H,1H2,(H,9,10,15)

InChI Key

ACXJACATYFKVJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-1.281

Distribution Coefficient, logD

-1.286

Water Solubility, LogSw

-1.76

Polar Surface Area

113.280

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8010-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0017?
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What is the minimum amount of 8010-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0017
  • 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 8010-0017 available by request