8011-6995 Screening compound: 4-[(1E)-2-[4-(benzyloxy)-3-ethoxyphenyl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one

8011-6995 Screening compound: 4-[(1E)-2-[4-(benzyloxy)-3-ethoxyphenyl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one
8011-6995 Screening compound: 4-[(1E)-2-[4-(benzyloxy)-3-ethoxyphenyl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6995
4-[(1E)-2-[4-(benzyloxy)-3-ethoxyphenyl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one

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

8011-6995

Molecular Formula

C22H19F3N2O3 (C22 H19 F3 N2 O3)

Compound Name

4-[(1E)-2-[4-(benzyloxy)-3-ethoxyphenyl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one

IUPAC name

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

SMILES

CCOc(cc(/C=C/C(C=C(C(F)(F)F)N1)=NC1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C22H19F3N2O3/c1-2-29-19-12-15(9-11-18(19)30-14-16-6-4-3-5-7-16)8-10-17-13-20(22(23,24)25)27-21(28)26-17/h3-13H,2,14H2,1H3,(H,26,27,28)

InChI Key

YZYZAGWYPOJNOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-4.81

Polar Surface Area

47.589

Acid Dissociation Constant (pKa)

3.30

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8011-6995 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-6995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6995?
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What is the minimum amount of 8011-6995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6995
  • 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 8011-6995 available by request