6392-0734 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

6392-0734 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
6392-0734 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0734
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

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

6392-0734

Molecular Formula

C26H19N5O3 (C26 H19 N5 O3)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]prop-2-enenitrile

SMILES

CC(C1=NC(Oc(cc2)ccc2OC)=C2/C=C(/c3nc(cccc4)c4[nH]3)\C#N)=CC=CN1C2=O

InChI

InChI=1S/C26H19N5O3/c1-16-6-5-13-31-24(16)30-25(34-19-11-9-18(33-2)10-12-19)20(26(31)32)14-17(15-27)23-28-21-7-3-4-8-22(21)29-23/h3-14H,1-2H3,(H,28,29)

InChI Key

AWOOPFFMOZQUSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04163467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

3.949

Water Solubility, LogSw

-4.35

Polar Surface Area

75.382

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6392-0734 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6392-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0734?
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What is the minimum amount of 6392-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0734
  • 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 6392-0734 available by request