6392-0827 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

6392-0827 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
6392-0827 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0827
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-ethylphenoxy)-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

6392-0827

Molecular Formula

C27H21N5O2 (C27 H21 N5 O2)

Compound Name

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

SMILES

CCc(cc1)ccc1OC(N=C1N2C=CC=C1C)=C(/C=C(/c1nc(cccc3)c3[nH]1)\C#N)C2=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.897

Water Solubility, LogSw

-4.63

Polar Surface Area

67.839

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6392-0827 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

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 6392-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0827?
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What is the minimum amount of 6392-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0827
  • 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 6392-0827 available by request