C430-0045 Screening compound: 2-(4-methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione

C430-0045 Screening compound: 2-(4-methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione
C430-0045 Screening compound: 2-(4-methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0045
2-(4-methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione

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

C430-0045

Molecular Formula

C13H17NO2S (C13 H17 NO2 S)

Compound Name

2-(4-methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione

IUPAC name

2-(4-methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione

SMILES

COc1ccc(CC(N2CCOCC2)=S)cc1

InChI

InChI=1S/C13H17NO2S/c1-15-12-4-2-11(3-5-12)10-13(17)14-6-8-16-9-7-14/h2-5H,6-10H2,1H3

InChI Key

XYZSOKXVIIHPFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00267742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.311

Water Solubility, LogSw

-2.36

Polar Surface Area

17.603

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C430-0045 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C430-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0045?
Check Price and Availability of C430-0045, 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 C430-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0045
  • 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 C430-0045 available by request