6392-1044 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(2-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

6392-1044 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(2-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
6392-1044 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(2-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 6392-1044
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(2-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

6392-1044

Molecular Formula

C26H19N5O3 (C26 H19 N5 O3)

Compound Name

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

SMILES

CC(C1=NC(Oc(cccc2)c2OC)=C2/C=C(/c3nc(cccc4)c4[nH]3)\C#N)=CC=CN1C2=O

InChI

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

InChI Key

RPKCVDBHCKXICI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04165799

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

3.929

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-4.43

Polar Surface Area

75.556

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6392-1044 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 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 6392-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6392-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-1044
  • 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 6392-1044 available by request