8001-1282 Screening compound: 2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-di[1,2,3]triazolo[4,5-e:4,5-g][1,2,3]benzotriazole

8001-1282 Screening compound: 2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-di[1,2,3]triazolo[4,5-e:4,5-g][1,2,3]benzotriazole
8001-1282 Screening compound: 2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-di[1,2,3]triazolo[4,5-e:4,5-g][1,2,3]benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1282
2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-di[1,2,3]triazolo[4,5-e:4,5-g][1,2,3]benzotriazole

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

8001-1282

Molecular Formula

C24H9N15O12 (C24 H9 N15 O12)

Compound Name

2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-di[1,2,3]triazolo[4,5-e:4,5-g][1,2,3]benzotriazole

IUPAC name

tris(24-dinitrophenyl)-3458910131415-nonaazatetracyclo[10.3.0.0^{26}.0^{711}]pentadeca-1(15)2571012-hexaene

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1-n1nc2c3nn(-c(ccc([N+]([O-])=O)c4)c4[N+]([O-])=O)nc3c3nn(-c(ccc([N+]([O-])=O)c4)c4[N+]([O-])=O)nc3c2n1)=O

InChI

InChI=1S/C24H9N15O12/c40-34(41)10-1-4-13(16(7-10)37(46)47)31-25-19-20(26-31)22-24(30-33(28-22)15-6-3-12(36(44)45)9-18(15)39(50)51)23-21(19)27-32(29-23)14-5-2-11(35(42)43)8-17(14)38(48)49/h1-9H

InChI Key

JBXGXBDYHKJOTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

699.43

Hydrogen Bond Acceptors Count

30.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

27

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.42

Polar Surface Area

275.447

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8001-1282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1282?
Check Price and Availability of 8001-1282, 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 8001-1282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1282
  • 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 8001-1282 available by request