0894-0002 Screening compound: (2Z,4E,6E,9Z,11E,13E)-3,4,10,11-tetramethyl-7,14-bis(methylsulfanyl)-1,2,5,6,8,9,12,13-octaaza-15-nickelabicyclo[6.6.1]pentadeca-2,4,6,9,11,13-hexaene

0894-0002 Screening compound: (2Z,4E,6E,9Z,11E,13E)-3,4,10,11-tetramethyl-7,14-bis(methylsulfanyl)-1,2,5,6,8,9,12,13-octaaza-15-nickelabicyclo[6.6.1]pentadeca-2,4,6,9,11,13-hexaene
0894-0002 Screening compound: (2Z,4E,6E,9Z,11E,13E)-3,4,10,11-tetramethyl-7,14-bis(methylsulfanyl)-1,2,5,6,8,9,12,13-octaaza-15-nickelabicyclo[6.6.1]pentadeca-2,4,6,9,11,13-hexaene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0894-0002
(2Z,4E,6E,9Z,11E,13E)-3,4,10,11-tetramethyl-7,14-bis(methylsulfanyl)-1,2,5,6,8,9,12,13-octaaza-15-nickelabicyclo[6.6.1]pentadeca-2,4,6,9,11,13-hexaene

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

0894-0002

Molecular Formula

C12H18N8NiS2 (C12 H18 N8 NiS2)

Compound Name

(2Z,4E,6E,9Z,11E,13E)-3,4,10,11-tetramethyl-7,14-bis(methylsulfanyl)-1,2,5,6,8,9,12,13-octaaza-15-nickelabicyclo[6.6.1]pentadeca-2,4,6,9,11,13-hexaene

IUPAC name

(2Z4E6E9Z11E13E)-341011-tetramethyl-714-bis(methylsulfanyl)-1256891213-octaaza-15-nickelabicyclo[6.6.1]pentadeca-24691113-hexaene

SMILES

C/C(/C(/C)=N/N=C1/SC)=N/N2[Ni]N1/N=C(/C)\C(\C)=N\N=C2\SC

InChI

InChI=1S/C12H18N8S2.Ni/c1-7-8(2)14-18-12(22-6)20-16-10(4)9(3)15-19-11(21-5)17-13-7;/h1-6H3;/q-2;+2

InChI Key

UFBOXWJXWGDUGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

2.019

Water Solubility, LogSw

-2.96

Polar Surface Area

67.276

Acid Dissociation Constant (pKa)

30.44

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 0894-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0894-0002?
Check Price and Availability of 0894-0002, 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 0894-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0894-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0894-0002
  • 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 0894-0002 available by request