0894-0001 Screening compound: (2Z,4E,6E,9Z,11E,13E)-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

0894-0001 Screening compound: (2Z,4E,6E,9Z,11E,13E)-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
0894-0001 Screening compound: (2Z,4E,6E,9Z,11E,13E)-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 0894-0001
(2Z,4E,6E,9Z,11E,13E)-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

0894-0001

Molecular Formula

C8H10N8NiS2 (C8 H10 N8 NiS2)

Compound Name

(2Z,4E,6E,9Z,11E,13E)-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)-714-bis(methylsulfanyl)-1256891213-octaaza-15-nickelabicyclo[6.6.1]pentadeca-24691113-hexaene

SMILES

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

InChI

InChI=1S/C8H10N8S2.Ni/c1-17-7-13-9-3-5-11-15-8(18-2)16-12-6-4-10-14-7;/h3-6H,1-2H3;/q-2;+2

InChI Key

SGDNZJWZWKPGBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.04

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

-0.190

Distribution Coefficient, logD

-0.437

Water Solubility, LogSw

-0.80

Polar Surface Area

77.704

Acid Dissociation Constant (pKa)

38.14

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 0894-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0894-0001?
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What is the minimum amount of 0894-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0894-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0894-0001
  • 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 0894-0001 available by request