R015-0027 Screening compound: 1,3-diethyl 2-(phenylmethylidene)propanedioate

R015-0027 Screening compound: 1,3-diethyl 2-(phenylmethylidene)propanedioate
R015-0027 Screening compound: 1,3-diethyl 2-(phenylmethylidene)propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound R015-0027
1,3-diethyl 2-(phenylmethylidene)propanedioate

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

R015-0027

Molecular Formula

C14H16O4 (C14 H16 O4)

Compound Name

1,3-diethyl 2-(phenylmethylidene)propanedioate

IUPAC name

13-diethyl 2-(phenylmethylidene)propanedioate

SMILES

CCOC(C(C(OCC)=O)=Cc1ccccc1)=O

InChI

InChI=1S/C14H16O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

InChI Key

VUWPIBNKJSEYIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00009149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.05

Polar Surface Area

41.746

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

R015-0027 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with R015-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R015-0027?
Check Price and Availability of R015-0027, 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 R015-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R015-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R015-0027
  • 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 R015-0027 available by request