6392-0743 Screening compound: (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-methoxyphenyl)prop-2-enamide

6392-0743 Screening compound: (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-methoxyphenyl)prop-2-enamide
6392-0743 Screening compound: (2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0743
(2E)-2-cyano-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-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

6392-0743

Molecular Formula

C27H22N4O5 (C27 H22 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C1=NC(Oc(cc2)ccc2OC)=C2/C=C(/C(Nc(cc3)ccc3OC)=O)\C#N)=CC=CN1C2=O

InChI

InChI=1S/C27H22N4O5/c1-17-5-4-14-31-24(17)30-26(36-22-12-10-21(35-3)11-13-22)23(27(31)33)15-18(16-28)25(32)29-19-6-8-20(34-2)9-7-19/h4-15H,1-3H3,(H,29,32)

InChI Key

NSCWPQWXIWXDOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04169948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-4.30

Polar Surface Area

86.998

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6392-0743 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 6392-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0743?
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What is the minimum amount of 6392-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0743
  • 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 6392-0743 available by request