0091-0129 Screening compound: 4,4'-bis(methylsulfanyl)-1,1'-biphenyl

0091-0129 Screening compound: 4,4'-bis(methylsulfanyl)-1,1'-biphenyl
0091-0129 Screening compound: 4,4'-bis(methylsulfanyl)-1,1'-biphenyl alternative view

Chemical Structure Depiction of ChemDiv screening compound 0091-0129
4,4'-bis(methylsulfanyl)-1,1'-biphenyl

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

0091-0129

Molecular Formula

C14H14S2 (C14 H14 S2)

Compound Name

4,4'-bis(methylsulfanyl)-1,1'-biphenyl

IUPAC name

44'-bis(methylsulfanyl)-11'-biphenyl

SMILES

CSc(cc1)ccc1-c(cc1)ccc1SC

InChI

InChI=1S/C14H14S2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12/h3-10H,1-2H3

InChI Key

IXDALKLBQBAGCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

5.452

Distribution Coefficient, logD

5.452

Water Solubility, LogSw

-5.96

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0091-0129 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0091-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0091-0129?
Check Price and Availability of 0091-0129, 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 0091-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0091-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0091-0129
  • 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 0091-0129 available by request