0117-0001 Screening compound: tetraphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-diene

0117-0001 Screening compound: tetraphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-diene
0117-0001 Screening compound: tetraphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-diene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0117-0001
tetraphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-diene

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

0117-0001

Molecular Formula

C28H20NiS4 (C28 H20 NiS4)

Compound Name

tetraphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-diene

IUPAC name

tetraphenyl-1469-tetrathia-5-nickelaspiro[4.4]nona-27-diene

SMILES

c(cc1)ccc1C(S1)=C(c2ccccc2)S[Ni]11SC(c2ccccc2)=C(c2ccccc2)S1

InChI

InChI=1S/2C14H12S2.Ni/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h2*1-10,15-16H;/q;;+4/p-4

InChI Key

NMKWXSJCBBEWEN-UHFFFAOYSA-J

MDL Number (MFCD)

MFCD00982274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

8.898

Distribution Coefficient, logD

8.898

Water Solubility, LogSw

-6.61

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0117-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0117-0001?
Check Price and Availability of 0117-0001, 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 0117-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0117-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0117-0001
  • 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 0117-0001 available by request