6392-0796 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

6392-0796 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
6392-0796 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0796
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-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

6392-0796

Molecular Formula

C26H19N5O2 (C26 H19 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OC(N=C2N3C=CC=C2C)=C(/C=C(/c2nc(cccc4)c4[nH]2)\C#N)C3=O)c1

InChI

InChI=1S/C26H19N5O2/c1-16-7-5-9-19(13-16)33-25-20(26(32)31-12-6-8-17(2)24(31)30-25)14-18(15-27)23-28-21-10-3-4-11-22(21)29-23/h3-14H,1-2H3,(H,28,29)

InChI Key

HZRZCGLPXNVORS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04167001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.55

Polar Surface Area

67.839

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6392-0796 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 6392-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0796?
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What is the minimum amount of 6392-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0796
  • 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 6392-0796 available by request