6392-0882 Screening compound: (2E)-2-cyano-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)prop-2-enamide

6392-0882 Screening compound: (2E)-2-cyano-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)prop-2-enamide
6392-0882 Screening compound: (2E)-2-cyano-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0882
(2E)-2-cyano-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)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

6392-0882

Molecular Formula

C26H19FN4O3 (C26 H19 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(/C(/C#N)=C/C(C(N(C=CC=C1C)C1=N1)=O)=C1Oc(cc1)ccc1F)=O

InChI

InChI=1S/C26H19FN4O3/c1-16-5-9-20(10-6-16)29-24(32)18(15-28)14-22-25(34-21-11-7-19(27)8-12-21)30-23-17(2)4-3-13-31(23)26(22)33/h3-14H,1-2H3,(H,29,32)

InChI Key

UGYPFVBOOMLPFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04174250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-4.43

Polar Surface Area

71.910

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6392-0882 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 6392-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0882?
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What is the minimum amount of 6392-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0882
  • 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 6392-0882 available by request