8012-7250 Screening compound: 4-{(E)-2-[5-(3-fluorophenyl)-2-furyl]-1-ethenyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone

8012-7250 Screening compound: 4-{(E)-2-[5-(3-fluorophenyl)-2-furyl]-1-ethenyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone
8012-7250 Screening compound: 4-{(E)-2-[5-(3-fluorophenyl)-2-furyl]-1-ethenyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7250
4-{(E)-2-[5-(3-fluorophenyl)-2-furyl]-1-ethenyl}-6-(trifluoromethyl)-2(1H)-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

8012-7250

Molecular Formula

C17H10F4N2O2 (C17 H10 F4 N2 O2)

Compound Name

4-{(E)-2-[5-(3-fluorophenyl)-2-furyl]-1-ethenyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone

IUPAC name

4-[(1E)-2-[5-(3-fluorophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-12-dihydropyrimidin-2-one

SMILES

O=C1N=C(/C=C/c2ccc(-c3cccc(F)c3)o2)C=C(C(F)(F)F)N1

InChI

InChI=1S/C17H10F4N2O2/c18-11-3-1-2-10(8-11)14-7-6-13(25-14)5-4-12-9-15(17(19,20)21)23-16(24)22-12/h1-9H,(H,22,23,24)

InChI Key

HVGHDGIWVBOZAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

0.548

Water Solubility, LogSw

-4.76

Polar Surface Area

40.634

Acid Dissociation Constant (pKa)

3.30

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

References: we are preparing a list of scientific research reports with 8012-7250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7250?
Check Price and Availability of 8012-7250, 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 8012-7250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7250
  • 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 8012-7250 available by request