8010-4964 Screening compound: 5-methoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

8010-4964 Screening compound: 5-methoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
8010-4964 Screening compound: 5-methoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4964
5-methoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-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

8010-4964

Molecular Formula

C16H16N2OS (C16 H16 N2 OS)

Compound Name

5-methoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

5-methoxy-2-{[(4-methylphenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc1ccc(CSc2nc(cc(cc3)OC)c3[nH]2)cc1

InChI

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

InChI Key

HRUYBRGMRSNLNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.99

Polar Surface Area

25.524

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8010-4964 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8010-4964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4964?
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What is the minimum amount of 8010-4964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4964
  • 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 8010-4964 available by request