0091-0139 Screening compound: 1-(benzylsulfanyl)-4-{[4-(benzylsulfanyl)phenyl]sulfanyl}benzene

0091-0139 Screening compound: 1-(benzylsulfanyl)-4-{[4-(benzylsulfanyl)phenyl]sulfanyl}benzene
0091-0139 Screening compound: 1-(benzylsulfanyl)-4-{[4-(benzylsulfanyl)phenyl]sulfanyl}benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0091-0139
1-(benzylsulfanyl)-4-{[4-(benzylsulfanyl)phenyl]sulfanyl}benzene

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

0091-0139

Molecular Formula

C26H22S3 (C26 H22 S3)

Compound Name

1-(benzylsulfanyl)-4-{[4-(benzylsulfanyl)phenyl]sulfanyl}benzene

IUPAC name

1-(benzylsulfanyl)-4-{[4-(benzylsulfanyl)phenyl]sulfanyl}benzene

SMILES

C(c1ccccc1)Sc(cc1)ccc1Sc(cc1)ccc1SCc1ccccc1

InChI

InChI=1S/C26H22S3/c1-3-7-21(8-4-1)19-27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-20-22-9-5-2-6-10-22/h1-18H,19-20H2

InChI Key

ZWVJPKUWWDTYKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00568734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

7.723

Distribution Coefficient, logD

7.723

Water Solubility, LogSw

-6.35

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0091-0139 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Akt-Targeted Library (14764 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0091-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0091-0139?
Check Price and Availability of 0091-0139, 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 0091-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0091-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0091-0139
  • 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 0091-0139 available by request