5408-0102 Screening compound: 4-[(E)-2-(2,4-dimethoxyphenyl)-1-ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone

5408-0102 Screening compound: 4-[(E)-2-(2,4-dimethoxyphenyl)-1-ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone
5408-0102 Screening compound: 4-[(E)-2-(2,4-dimethoxyphenyl)-1-ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0102
4-[(E)-2-(2,4-dimethoxyphenyl)-1-ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone

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

5408-0102

Molecular Formula

C15H13F3N2O3 (C15 H13 F3 N2 O3)

Compound Name

4-[(E)-2-(2,4-dimethoxyphenyl)-1-ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone

IUPAC name

6-[(1E)-2-(24-dimethoxyphenyl)ethenyl]-4-(trifluoromethyl)-12-dihydropyrimidin-2-one

SMILES

COc1cc(OC)c(/C=C/C(N2)=CC(C(F)(F)F)=NC2=O)cc1

InChI

InChI=1S/C15H13F3N2O3/c1-22-11-6-4-9(12(8-11)23-2)3-5-10-7-13(15(16,17)18)20-14(21)19-10/h3-8H,1-2H3,(H,19,20,21)

InChI Key

HCFVCAXKRNSYFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00815646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.58

Polar Surface Area

48.441

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5408-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0102?
Check Price and Availability of 5408-0102, 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 5408-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0102
  • 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 5408-0102 available by request