E727-0663 Screening compound: N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

E727-0663 Screening compound: N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
E727-0663 Screening compound: N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-0663
N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

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

E727-0663

Molecular Formula

C20H14F3N3O2S (C20 H14 F3 N3 O2 S)

Compound Name

N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

IUPAC name

N-(2-benzoylphenyl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

SMILES

CSc(nc1)nc(C(F)(F)F)c1C(Nc(cccc1)c1C(c1ccccc1)=O)=O

InChI

InChI=1S/C20H14F3N3O2S/c1-29-19-24-11-14(17(26-19)20(21,22)23)18(28)25-15-10-6-5-9-13(15)16(27)12-7-3-2-4-8-12/h2-11H,1H3,(H,25,28)

InChI Key

YZEQEHBKMPIRSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-4.32

Polar Surface Area

54.684

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E727-0663 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with E727-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-0663?
Check Price and Availability of E727-0663, 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 E727-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-0663
  • 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 E727-0663 available by request