6392-0406 Screening compound: ethyl (2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

6392-0406 Screening compound: ethyl (2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
6392-0406 Screening compound: ethyl (2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0406
ethyl (2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

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

6392-0406

Molecular Formula

C22H19N3O4 (C22 H19 N3 O4)

Compound Name

ethyl (2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

IUPAC name

ethyl (2E)-2-cyano-3-[2-(35-dimethylphenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]prop-2-enoate

SMILES

CCOC(/C(/C#N)=C/C(C(N(C=CC=C1)C1=N1)=O)=C1Oc1cc(C)cc(C)c1)=O

InChI

InChI=1S/C22H19N3O4/c1-4-28-22(27)16(13-23)12-18-20(29-17-10-14(2)9-15(3)11-17)24-19-7-5-6-8-25(19)21(18)26/h5-12H,4H2,1-3H3

InChI Key

LSJQTWCTMPIGRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04196506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.74

Polar Surface Area

70.552

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

6392-0406 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6392-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0406?
Check Price and Availability of 6392-0406, 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 6392-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0406
  • 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 6392-0406 available by request