8006-3653 Screening compound: methyl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate

8006-3653 Screening compound: methyl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate
8006-3653 Screening compound: methyl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3653
methyl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate

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

8006-3653

Molecular Formula

C12H14O4 (C12 H14 O4)

Compound Name

methyl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate

IUPAC name

methyl (2E)-3-(34-dimethoxyphenyl)prop-2-enoate

SMILES

COC(/C=C/c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C12H14O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8H,1-3H3

InChI Key

JXRYDOZRPYFBKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.255

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-2.57

Polar Surface Area

36.078

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8006-3653 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8006-3653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3653?
Check Price and Availability of 8006-3653, 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 8006-3653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3653
  • 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 8006-3653 available by request