3556-0916 Screening compound: methyl 2-[2-(benzylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetate

3556-0916 Screening compound: methyl 2-[2-(benzylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetate
3556-0916 Screening compound: methyl 2-[2-(benzylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3556-0916
methyl 2-[2-(benzylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetate

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

3556-0916

Molecular Formula

C17H16N2O2S (C17 H16 N2 O2 S)

Compound Name

methyl 2-[2-(benzylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetate

IUPAC name

methyl 2-[2-(benzylsulfanyl)-1H-13-benzodiazol-1-yl]acetate

SMILES

COC(Cn1c(SCc2ccccc2)nc2c1cccc2)=O

InChI

InChI=1S/C17H16N2O2S/c1-21-16(20)11-19-15-10-6-5-9-14(15)18-17(19)22-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

InChI Key

QHODMFAMCLVWLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02163948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-3.70

Polar Surface Area

31.328

Acid Dissociation Constant (pKa)

17.83

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3556-0916 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3556-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3556-0916?
Check Price and Availability of 3556-0916, 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 3556-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3556-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3556-0916
  • 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 3556-0916 available by request