0096-0142 Screening compound: 2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0~3,11~.0~5,9~]dodecane

0096-0142 Screening compound: 2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0~3,11~.0~5,9~]dodecane
0096-0142 Screening compound: 2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0~3,11~.0~5,9~]dodecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0096-0142
2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0~3,11~.0~5,9~]dodecane

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

0096-0142

Molecular Formula

C48H48N6 (C48 H48 N6)

Compound Name

2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0~3,11~.0~5,9~]dodecane

IUPAC name

24681012-hexabenzyl-24681012-hexaazatetracyclo[5.5.0.0^{311}.0^{59}]dodecane

SMILES

C(c1ccccc1)N1C2N(Cc3ccccc3)C3N(Cc4ccccc4)C4N(Cc5ccccc5)C3N(Cc3ccccc3)C2N(Cc2ccccc2)C14

InChI

InChI=1S/C48H48N6/c1-7-19-37(20-8-1)31-49-43-44-50(32-38-21-9-2-10-22-38)47(49)48-51(33-39-23-11-3-12-24-39)45(53(43)35-41-27-15-5-16-28-41)46(52(48)34-40-25-13-4-14-26-40)54(44)36-42-29-17-6-18-30-42/h1-30,43-48H,31-36H2

InChI Key

IUKZSMGVHPBEHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00308713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

708.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

10.180

Distribution Coefficient, logD

10.180

Water Solubility, LogSw

-6.43

Polar Surface Area

12.402

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 0096-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0096-0142?
Check Price and Availability of 0096-0142, 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 0096-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0096-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0096-0142
  • 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 0096-0142 available by request