4155-0976 Screening compound: 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol

4155-0976 Screening compound: 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol
4155-0976 Screening compound: 4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4155-0976
4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol

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

4155-0976

Molecular Formula

C19H14F4N2O2 (C19 H14 F4 N2 O2)

Compound Name

4-methoxy-2-[2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl]phenol

IUPAC name

4-methoxy-2-[2-phenyl-6-(1122-tetrafluoroethyl)pyrimidin-4-yl]phenol

SMILES

COc(cc1)cc(-c2cc(C(C(F)F)(F)F)nc(-c3ccccc3)n2)c1O

InChI

InChI=1S/C19H14F4N2O2/c1-27-12-7-8-15(26)13(9-12)14-10-16(19(22,23)18(20)21)25-17(24-14)11-5-3-2-4-6-11/h2-10,18,26H,1H3

InChI Key

SJKMRRREKUQGFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01419189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.192

Distribution Coefficient, logD

6.192

Water Solubility, LogSw

-5.62

Polar Surface Area

42.358

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4155-0976 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4155-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4155-0976?
Check Price and Availability of 4155-0976, 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 4155-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4155-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4155-0976
  • 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 4155-0976 available by request