0117-0007 Screening compound: 4-{7-[4-(dimethylamino)phenyl]-3,8-diphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-dien-2-yl}-N,N-dimethylaniline

0117-0007 Screening compound: 4-{7-[4-(dimethylamino)phenyl]-3,8-diphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-dien-2-yl}-N,N-dimethylaniline
0117-0007 Screening compound: 4-{7-[4-(dimethylamino)phenyl]-3,8-diphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-dien-2-yl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0117-0007
4-{7-[4-(dimethylamino)phenyl]-3,8-diphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-dien-2-yl}-N,N-dimethylaniline

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

0117-0007

Molecular Formula

C32H30N2NiS4 (C32 H30 N2 NiS4)

Compound Name

4-{7-[4-(dimethylamino)phenyl]-3,8-diphenyl-1,4,6,9-tetrathia-5-nickelaspiro[4.4]nona-2,7-dien-2-yl}-N,N-dimethylaniline

IUPAC name

4-{7-[4-(dimethylamino)phenyl]-38-diphenyl-1469-tetrathia-5-nickelaspiro[4.4]nona-27-dien-2-yl}-NN-dimethylaniline

SMILES

CN(C)c(cc1)ccc1C(S1)=C(c2ccccc2)S[Ni]11SC(c(cc2)ccc2N(C)C)=C(c2ccccc2)S1

InChI

InChI=1S/2C16H17NS2.Ni/c2*1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12;/h2*3-11,18-19H,1-2H3;/q;;+4/p-4

InChI Key

VPMXSSRMPFXICU-UHFFFAOYSA-J

MDL Number (MFCD)

MFCD00135960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.288

Distribution Coefficient, logD

9.288

Water Solubility, LogSw

-6.30

Polar Surface Area

5.033

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 0117-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0117-0007?
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What is the minimum amount of 0117-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0117-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0117-0007
  • 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 0117-0007 available by request