8013-2290 Screening compound: 26-dimethyl-7-nitro-3-[(3-nitrophenyl)carbamoyl]-1H-4lambda5-[123]triazolo[21-a][123]triazol-4-ylium-1-ide

8013-2290 Screening compound: 26-dimethyl-7-nitro-3-[(3-nitrophenyl)carbamoyl]-1H-4lambda5-[123]triazolo[21-a][123]triazol-4-ylium-1-ide
8013-2290 Screening compound: 26-dimethyl-7-nitro-3-[(3-nitrophenyl)carbamoyl]-1H-4lambda5-[123]triazolo[21-a][123]triazol-4-ylium-1-ide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2290
26-dimethyl-7-nitro-3-[(3-nitrophenyl)carbamoyl]-1H-4lambda5-[123]triazolo[21-a][123]triazol-4-ylium-1-ide

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

8013-2290

Molecular Formula

C13H11N7O5 (C13 H11 N7 O5)

Compound Name

26-dimethyl-7-nitro-3-[(3-nitrophenyl)carbamoyl]-1H-4lambda5-[123]triazolo[21-a][123]triazol-4-ylium-1-ide

IUPAC name

26-dimethyl-7-nitro-3-[(3-nitrophenyl)carbamoyl]-1H-4lambda5-[123]triazolo[21-a][123]triazol-4-ylium-1-ide

SMILES

Cc([n-]n12)c(C(Nc3cccc([N+]([O-])=O)c3)=O)[n+]1nc(C)c2[N+]([O-])=O

InChI

InChI=1S/C13H11N7O5/c1-7-11(17-16-8(2)13(20(24)25)18(17)15-7)12(21)14-9-4-3-5-10(6-9)19(22)23/h3-6H,1-2H3,(H-,14,15,16,21)

InChI Key

LODIETFAWMFQNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.27

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.673

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-2.32

Polar Surface Area

113.957

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 8013-2290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2290?
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What is the minimum amount of 8013-2290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2290
  • 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 8013-2290 available by request