C720-0466 Screening compound: 7-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

C720-0466 Screening compound: 7-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
C720-0466 Screening compound: 7-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C720-0466
7-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-pyrido[1,2-a]pyrimidine-3-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

C720-0466

Molecular Formula

C17H12F3N3O3 (C17 H12 F3 N3 O3)

Compound Name

7-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

IUPAC name

7-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-pyrido[12-a]pyrimidine-3-carboxamide

SMILES

CC(C=CC1=NC=C2C(Nc(cc3)ccc3OC(F)(F)F)=O)=CN1C2=O

InChI

InChI=1S/C17H12F3N3O3/c1-10-2-7-14-21-8-13(16(25)23(14)9-10)15(24)22-11-3-5-12(6-4-11)26-17(18,19)20/h2-9H,1H3,(H,22,24)

InChI Key

XAJPTOQBXPNRKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06722192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-3.57

Polar Surface Area

55.020

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C720-0466 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

References: we are preparing a list of scientific research reports with C720-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C720-0466?
Check Price and Availability of C720-0466, 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 C720-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C720-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C720-0466
  • 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 C720-0466 available by request