8013-6186 Screening compound: 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole

8013-6186 Screening compound: 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole
8013-6186 Screening compound: 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6186
2-({[(2-chlorophenyl)methyl]sulfanyl}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

8013-6186

Molecular Formula

C15H13ClN2S (C15 H13 ClN2 S)

Compound Name

2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole

IUPAC name

2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-13-benzodiazole

SMILES

Clc1c(CSCc2nc(cccc3)c3[nH]2)cccc1

InChI

InChI=1S/C15H13ClN2S/c16-12-6-2-1-5-11(12)9-19-10-15-17-13-7-3-4-8-14(13)18-15/h1-8H,9-10H2,(H,17,18)

InChI Key

KNTHISZJGLCSDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03714057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.8

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-5.03

Polar Surface Area

20.248

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8013-6186 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

Human Receptors Annotated Library (5376 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-6186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6186?
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What is the minimum amount of 8013-6186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6186
  • 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 8013-6186 available by request