6392-0344 Screening compound: ethyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

6392-0344 Screening compound: ethyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
6392-0344 Screening compound: ethyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0344
ethyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

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

6392-0344

Molecular Formula

C21H16ClN3O4 (C21 H16 ClN3 O4)

Compound Name

ethyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

IUPAC name

ethyl (2E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

SMILES

CCOC(/C(/C#N)=C/C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cc1)cc(C)c1Cl)=O

InChI

InChI=1S/C21H16ClN3O4/c1-3-28-21(27)14(12-23)11-16-19(29-15-7-8-17(22)13(2)10-15)24-18-6-4-5-9-25(18)20(16)26/h4-11H,3H2,1-2H3

InChI Key

BJJDUPXWJYIDIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04173676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.997

Distribution Coefficient, logD

3.997

Water Solubility, LogSw

-4.41

Polar Surface Area

70.552

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6392-0344 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 6392-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0344?
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What is the minimum amount of 6392-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0344
  • 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 6392-0344 available by request