8001-1249 Screening compound: [1,2,3]triazolo[4,5-f][1,2,3]benzotriazole-4,8(1H,5H)-dione dioxime

8001-1249 Screening compound: [1,2,3]triazolo[4,5-f][1,2,3]benzotriazole-4,8(1H,5H)-dione dioxime
8001-1249 Screening compound: [1,2,3]triazolo[4,5-f][1,2,3]benzotriazole-4,8(1H,5H)-dione dioxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1249
[1,2,3]triazolo[4,5-f][1,2,3]benzotriazole-4,8(1H,5H)-dione dioxime

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

8001-1249

Molecular Formula

C6H4N8O2 (C6 H4 N8 O2)

Compound Name

[1,2,3]triazolo[4,5-f][1,2,3]benzotriazole-4,8(1H,5H)-dione dioxime

IUPAC name

N-[(2Z8E)-8-(hydroxyimino)-456101112-hexaazatricyclo[7.3.0.0^{37}]dodeca-1(9)3(7)410-tetraen-2-ylidene]hydroxylamine

SMILES

O/N=C(\c1c(/C2=N\O)nn[nH]1)/c1c2[nH]nn1

InChI

InChI=1S/C6H4N8O2/c15-11-5-1-2(8-13-7-1)6(12-16)4-3(5)9-14-10-4/h15-16H,(H,7,8,13)(H,9,10,14)

InChI Key

KRTJKVHMWYZRSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.427

Distribution Coefficient, logD

-2.895

Water Solubility, LogSw

0.18

Polar Surface Area

132.081

Acid Dissociation Constant (pKa)

5.95

Base Dissociation Constant (pKb)

12.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8001-1249 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8001-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1249?
Check Price and Availability of 8001-1249, 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 8001-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1249
  • 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 8001-1249 available by request