5535-0886 Screening compound: methyl 2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetate

5535-0886 Screening compound: methyl 2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetate
5535-0886 Screening compound: methyl 2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5535-0886
methyl 2-[2-(methylsulfanyl)-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

5535-0886

Molecular Formula

C11H12N2O2S (C11 H12 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COC(Cn1c(SC)nc2c1cccc2)=O

InChI

InChI=1S/C11H12N2O2S/c1-15-10(14)7-13-9-6-4-3-5-8(9)12-11(13)16-2/h3-6H,7H2,1-2H3

InChI Key

SGHVHDAKFKHOGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01199679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.385

Distribution Coefficient, logD

2.341

Water Solubility, LogSw

-2.52

Polar Surface Area

31.599

Acid Dissociation Constant (pKa)

17.83

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

5535-0886 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5535-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5535-0886?
Check Price and Availability of 5535-0886, 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 5535-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5535-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5535-0886
  • 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 5535-0886 available by request