8002-8655 Screening compound: methyl 2-(methylsulfanyl)-1H-1,3-benzodiazole-1-carboxylate

8002-8655 Screening compound: methyl 2-(methylsulfanyl)-1H-1,3-benzodiazole-1-carboxylate
8002-8655 Screening compound: methyl 2-(methylsulfanyl)-1H-1,3-benzodiazole-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-8655
methyl 2-(methylsulfanyl)-1H-1,3-benzodiazole-1-carboxylate

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

8002-8655

Molecular Formula

C10H10N2O2S (C10 H10 N2 O2 S)

Compound Name

methyl 2-(methylsulfanyl)-1H-1,3-benzodiazole-1-carboxylate

IUPAC name

methyl 2-(methylsulfanyl)-1H-13-benzodiazole-1-carboxylate

SMILES

COC(n1c(SC)nc2c1cccc2)=O

InChI

InChI=1S/C10H10N2O2S/c1-14-10(13)12-8-6-4-3-5-7(8)11-9(12)15-2/h3-6H,1-2H3

InChI Key

LDLXKHLTCRYGGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00545385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.241

Distribution Coefficient, logD

2.241

Water Solubility, LogSw

-2.36

Polar Surface Area

31.432

Acid Dissociation Constant (pKa)

28.51

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8002-8655 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8002-8655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-8655?
Check Price and Availability of 8002-8655, 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 8002-8655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-8655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-8655
  • 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 8002-8655 available by request