8001-8022 Screening compound: 1,1'-(5,5'-dinitro-1H,2'H-3,3'-bi-1,2,4-triazole-1,2'-diyl)diacetone

8001-8022 Screening compound: 1,1'-(5,5'-dinitro-1H,2'H-3,3'-bi-1,2,4-triazole-1,2'-diyl)diacetone
8001-8022 Screening compound: 1,1'-(5,5'-dinitro-1H,2'H-3,3'-bi-1,2,4-triazole-1,2'-diyl)diacetone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8022
1,1'-(5,5'-dinitro-1H,2'H-3,3'-bi-1,2,4-triazole-1,2'-diyl)diacetone

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

8001-8022

Molecular Formula

C10H10N8O6 (C10 H10 N8 O6)

Compound Name

1,1'-(5,5'-dinitro-1H,2'H-3,3'-bi-1,2,4-triazole-1,2'-diyl)diacetone

IUPAC name

n/a

SMILES

CC(Cn(c(-c1nn(CC(C)=O)c([N+]([O-])=O)n1)n1)nc1[N+]([O-])=O)=O

InChI

InChI=1S/C10H10N8O6/c1-5(19)3-15-8(12-9(14-15)17(21)22)7-11-10(18(23)24)16(13-7)4-6(2)20/h3-4H2,1-2H3

InChI Key

ZHSFTMAABDJPJC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.24

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

-1.231

Distribution Coefficient, logD

-1.231

Water Solubility, LogSw

-0.25

Polar Surface Area

139.983

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8001-8022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8022?
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What is the minimum amount of 8001-8022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8022
  • 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 8001-8022 available by request