8013-6083 Screening compound: 2-[({[4-(propan-2-yl)phenyl]methyl}sulfanyl)methyl]-1H-1,3-benzodiazole

8013-6083 Screening compound: 2-[({[4-(propan-2-yl)phenyl]methyl}sulfanyl)methyl]-1H-1,3-benzodiazole
8013-6083 Screening compound: 2-[({[4-(propan-2-yl)phenyl]methyl}sulfanyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6083
2-[({[4-(propan-2-yl)phenyl]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

8013-6083

Molecular Formula

C18H20N2S (C18 H20 N2 S)

Compound Name

2-[({[4-(propan-2-yl)phenyl]methyl}sulfanyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-[({[4-(propan-2-yl)phenyl]methyl}sulfanyl)methyl]-1H-13-benzodiazole

SMILES

CC(C)c1ccc(CSCc2nc(cccc3)c3[nH]2)cc1

InChI

InChI=1S/C18H20N2S/c1-13(2)15-9-7-14(8-10-15)11-21-12-18-19-16-5-3-4-6-17(16)20-18/h3-10,13H,11-12H2,1-2H3,(H,19,20)

InChI Key

UAJNOGPSRHVLRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03714112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

5.323

Water Solubility, LogSw

-5.52

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

27.80

8013-6083 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 8013-6083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6083?
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What is the minimum amount of 8013-6083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6083
  • 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 8013-6083 available by request