6392-0867 Screening compound: (2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide

6392-0867 Screening compound: (2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
6392-0867 Screening compound: (2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0867
(2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)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

6392-0867

Molecular Formula

C26H19ClN4O4 (C26 H19 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C1=NC(Oc(cccc2)c2Cl)=C2/C=C(/C(Nc(cc3)ccc3OC)=O)\C#N)=CC=CN1C2=O

InChI

InChI=1S/C26H19ClN4O4/c1-16-6-5-13-31-23(16)30-25(35-22-8-4-3-7-21(22)27)20(26(31)33)14-17(15-28)24(32)29-18-9-11-19(34-2)12-10-18/h3-14H,1-2H3,(H,29,32)

InChI Key

OUQURTPBAHPYGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04447381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.91

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

4.227

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.58

Polar Surface Area

79.541

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6392-0867 in Drug Discovery

Included in Screening Libraries

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 6392-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0867?
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What is the minimum amount of 6392-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0867
  • 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 6392-0867 available by request