6392-0967 Screening compound: (2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide

6392-0967 Screening compound: (2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide
6392-0967 Screening compound: (2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0967
(2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-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

6392-0967

Molecular Formula

C24H22N4O3 (C24 H22 N4 O3)

Compound Name

(2E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide

IUPAC name

(2E)-2-cyano-3-[2-(35-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-N-(prop-2-en-1-yl)prop-2-enamide

SMILES

Cc1cc(OC(N=C2N3C=CC=C2C)=C(/C=C(/C(NCC=C)=O)\C#N)C3=O)cc(C)c1

InChI

InChI=1S/C24H22N4O3/c1-5-8-26-22(29)18(14-25)13-20-23(31-19-11-15(2)10-16(3)12-19)27-21-17(4)7-6-9-28(21)24(20)30/h5-7,9-13H,1,8H2,2-4H3,(H,26,29)

InChI Key

JZEIQMSNQCSELG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04161220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.25

Polar Surface Area

73.346

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6392-0967 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 6392-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6392-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0967
  • 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 6392-0967 available by request