8009-0247 Screening compound: 2-ethoxy-4-(morpholine-4-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

8009-0247 Screening compound: 2-ethoxy-4-(morpholine-4-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
8009-0247 Screening compound: 2-ethoxy-4-(morpholine-4-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0247
2-ethoxy-4-(morpholine-4-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

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

8009-0247

Molecular Formula

C24H27NO6S (C24 H27 NO6 S)

Compound Name

2-ethoxy-4-(morpholine-4-carbothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

IUPAC name

2-ethoxy-4-(morpholine-4-carbothioyl)phenyl (2E)-3-(34-dimethoxyphenyl)prop-2-enoate

SMILES

CCOc(cc(cc1)C(N2CCOCC2)=S)c1OC(/C=C/c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C24H27NO6S/c1-4-30-22-16-18(24(32)25-11-13-29-14-12-25)7-9-20(22)31-23(26)10-6-17-5-8-19(27-2)21(15-17)28-3/h5-10,15-16H,4,11-14H2,1-3H3

InChI Key

GGLVJPYLWWVHII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.95

Polar Surface Area

52.436

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8009-0247 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0247?
Check Price and Availability of 8009-0247, 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 8009-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0247
  • 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 8009-0247 available by request