6392-0786 Screening compound: (2E)-2-cyano-N-[(furan-2-yl)methyl]-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

6392-0786 Screening compound: (2E)-2-cyano-N-[(furan-2-yl)methyl]-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
6392-0786 Screening compound: (2E)-2-cyano-N-[(furan-2-yl)methyl]-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0786
(2E)-2-cyano-N-[(furan-2-yl)methyl]-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

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

6392-0786

Molecular Formula

C25H20N4O4 (C25 H20 N4 O4)

Compound Name

(2E)-2-cyano-N-[(furan-2-yl)methyl]-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

IUPAC name

(2E)-2-cyano-N-[(furan-2-yl)methyl]-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]prop-2-enamide

SMILES

Cc1cccc(OC(N=C2N3C=CC=C2C)=C(/C=C(/C(NCc2ccco2)=O)\C#N)C3=O)c1

InChI

InChI=1S/C25H20N4O4/c1-16-6-3-8-19(12-16)33-24-21(25(31)29-10-4-7-17(2)22(29)28-24)13-18(14-26)23(30)27-15-20-9-5-11-32-20/h3-13H,15H2,1-2H3,(H,27,30)

InChI Key

DFIVZHSNYQHVSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04179285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.588

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-3.85

Polar Surface Area

80.981

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

6392-0786 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6392-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0786?
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What is the minimum amount of 6392-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0786
  • 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 6392-0786 available by request