3260-0317 Screening compound: 2-(benzylsulfanyl)-5-methoxy-1-methyl-1H-1,3-benzodiazole

3260-0317 Screening compound: 2-(benzylsulfanyl)-5-methoxy-1-methyl-1H-1,3-benzodiazole
3260-0317 Screening compound: 2-(benzylsulfanyl)-5-methoxy-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0317
2-(benzylsulfanyl)-5-methoxy-1-methyl-1H-1,3-benzodiazole

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

3260-0317

Molecular Formula

C16H16N2OS (C16 H16 N2 OS)

Compound Name

2-(benzylsulfanyl)-5-methoxy-1-methyl-1H-1,3-benzodiazole

IUPAC name

2-(benzylsulfanyl)-5-methoxy-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(SCc2ccccc2)nc2c1ccc(OC)c2

InChI

InChI=1S/C16H16N2OS/c1-18-15-9-8-13(19-2)10-14(15)17-16(18)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3

InChI Key

JILHGFPTXHNEIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00841018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-4.06

Polar Surface Area

19.103

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

3260-0317 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3260-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0317?
Check Price and Availability of 3260-0317, 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 3260-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0317
  • 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 3260-0317 available by request