6392-0361 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

6392-0361 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
6392-0361 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0361
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-chloro-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

6392-0361

Molecular Formula

C25H15ClN4O2S (C25 H15 ClN4 O2 S)

Compound Name

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

IUPAC name

(2E)-2-(13-benzothiazol-2-yl)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]prop-2-enenitrile

SMILES

Cc(cc(cc1)OC(N=C2N3C=CC=C2)=C(/C=C(/c2nc(cccc4)c4s2)\C#N)C3=O)c1Cl

InChI

InChI=1S/C25H15ClN4O2S/c1-15-12-17(9-10-19(15)26)32-23-18(25(31)30-11-5-4-8-22(30)29-23)13-16(14-27)24-28-20-6-2-3-7-21(20)33-24/h2-13H,1H3

InChI Key

PYPNNLRPHOOETD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04186061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.785

Distribution Coefficient, logD

5.785

Water Solubility, LogSw

-6.02

Polar Surface Area

59.247

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

6392-0361 in Drug Discovery

Included in Screening Libraries

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 6392-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0361?
Check Price and Availability of 6392-0361, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6392-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0361
  • 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 6392-0361 available by request