8388-0704 Screening compound: 1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-phenylethan-1-amine

8388-0704 Screening compound: 1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-phenylethan-1-amine
8388-0704 Screening compound: 1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-phenylethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8388-0704
1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-phenylethan-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

8388-0704

Molecular Formula

C12H15N3OS (C12 H15 N3 OS)

Compound Name

1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-phenylethan-1-amine

IUPAC name

(1S)-1-[5-(ethylsulfanyl)-134-oxadiazol-2-yl]-2-phenylethan-1-amine

SMILES

CCSc1nnc([C@H](Cc2ccccc2)N)o1

InChI

InChI=1S/C12H15N3OS/c1-2-17-12-15-14-11(16-12)10(13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3/t10-/m0/s1

InChI Key

XFKKBHQXKGVWHM-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

249.34

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

1.114

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-1.86

Polar Surface Area

51.124

Acid Dissociation Constant (pKa)

24.34

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8388-0704 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8388-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8388-0704?
Check Price and Availability of 8388-0704, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8388-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8388-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8388-0704
  • 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 8388-0704 available by request