8008-8710 Screening compound: 4-[(E)-2-(3-ethoxy-4-hydroxyphenyl)-1-ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone

8008-8710 Screening compound: 4-[(E)-2-(3-ethoxy-4-hydroxyphenyl)-1-ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone
8008-8710 Screening compound: 4-[(E)-2-(3-ethoxy-4-hydroxyphenyl)-1-ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8710
4-[(E)-2-(3-ethoxy-4-hydroxyphenyl)-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

8008-8710

Molecular Formula

C15H13F3N2O3 (C15 H13 F3 N2 O3)

Compound Name

4-[(E)-2-(3-ethoxy-4-hydroxyphenyl)-1-ethenyl]-6-(trifluoromethyl)-2(3H)-pyrimidinone

IUPAC name

6-[(1E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-4-(trifluoromethyl)-12-dihydropyrimidin-2-one

SMILES

CCOc(cc(/C=C/C(N1)=CC(C(F)(F)F)=NC1=O)cc1)c1O

InChI

InChI=1S/C15H13F3N2O3/c1-2-23-12-7-9(4-6-11(12)21)3-5-10-8-13(15(16,17)18)20-14(22)19-10/h3-8,21H,2H2,1H3,(H,19,20,22)

InChI Key

KQTMKNGWTNLRBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00501835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.925

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-3.12

Polar Surface Area

57.025

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8008-8710 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-8710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8710?
Check Price and Availability of 8008-8710, 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 8008-8710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8710
  • 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 8008-8710 available by request