0407-0104 Screening compound: 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene

0407-0104 Screening compound: 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene
0407-0104 Screening compound: 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0407-0104
1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene

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

0407-0104

Molecular Formula

C12H16O3 (C12 H16 O3)

Compound Name

1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene

IUPAC name

124-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene

SMILES

C/C=C/c(c(OC)c1)cc(OC)c1OC

InChI

InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3

InChI Key

RKFAZBXYICVSKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00064457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.511

Distribution Coefficient, logD

2.511

Water Solubility, LogSw

-2.26

Polar Surface Area

23.130

Acid Dissociation Constant (pKa)

31.25

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0407-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0407-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0407-0104?
Check Price and Availability of 0407-0104, 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 0407-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0407-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0407-0104
  • 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 0407-0104 available by request