8388-0992 Screening compound: 2-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethan-1-amine

8388-0992 Screening compound: 2-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethan-1-amine
8388-0992 Screening compound: 2-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0992
2-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethan-1-amine

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

8388-0992

Molecular Formula

C11H13N3OS (C11 H13 N3 OS)

Compound Name

2-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethan-1-amine

IUPAC name

n/a

SMILES

NCCc(o1)nnc1SCc1ccccc1

InChI

InChI=1S/C11H13N3OS/c12-7-6-10-13-14-11(15-10)16-8-9-4-2-1-3-5-9/h1-5H,6-8,12H2

InChI Key

SFSSDSVHQINECU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.574

Distribution Coefficient, logD

-1.161

Water Solubility, LogSw

-1.58

Polar Surface Area

51.157

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8388-0992 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8388-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0992?
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What is the minimum amount of 8388-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0992
  • 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 8388-0992 available by request