0091-0132 Screening compound: 1-(methylsulfanyl)-4-{[4-(methylsulfanyl)phenyl]sulfanyl}benzene

0091-0132 Screening compound: 1-(methylsulfanyl)-4-{[4-(methylsulfanyl)phenyl]sulfanyl}benzene
0091-0132 Screening compound: 1-(methylsulfanyl)-4-{[4-(methylsulfanyl)phenyl]sulfanyl}benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0091-0132
1-(methylsulfanyl)-4-{[4-(methylsulfanyl)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

0091-0132

Molecular Formula

C14H14S3 (C14 H14 S3)

Compound Name

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

IUPAC name

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

SMILES

CSc(cc1)ccc1Sc(cc1)ccc1SC

InChI

InChI=1S/C14H14S3/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3

InChI Key

GQUSUMUJMZGXSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

5.878

Distribution Coefficient, logD

5.878

Water Solubility, LogSw

-5.87

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

0091-0132 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0091-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0091-0132?
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What is the minimum amount of 0091-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0091-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0091-0132
  • 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 0091-0132 available by request