8008-8360 Screening compound: 2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one

8008-8360 Screening compound: 2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
8008-8360 Screening compound: 2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8360
2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one

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

8008-8360

Molecular Formula

C14H17N3O2S (C14 H17 N3 O2 S)

Compound Name

2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-[2-(methylsulfanyl)-1H-13-benzodiazol-1-yl]-1-(morpholin-4-yl)ethan-1-one

SMILES

CSc1nc(cccc2)c2n1CC(N1CCOCC1)=O

InChI

InChI=1S/C14H17N3O2S/c1-20-14-15-11-4-2-3-5-12(11)17(14)10-13(18)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3

InChI Key

FBKIYPYBNHOQCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01199688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.692

Distribution Coefficient, logD

1.625

Water Solubility, LogSw

-2.14

Polar Surface Area

35.050

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

8008-8360 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8008-8360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8360?
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What is the minimum amount of 8008-8360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8360
  • 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 8008-8360 available by request