6392-0888 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

6392-0888 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
6392-0888 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0888
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-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

6392-0888

Molecular Formula

C25H15FN4O2S (C25 H15 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1=NC(Oc(cc2)ccc2F)=C2/C=C(/c3nc(cccc4)c4s3)\C#N)=CC=CN1C2=O

InChI

InChI=1S/C25H15FN4O2S/c1-15-5-4-12-30-22(15)29-23(32-18-10-8-17(26)9-11-18)19(25(30)31)13-16(14-27)24-28-20-6-2-3-7-21(20)33-24/h2-13H,1H3/b16-13+

InChI Key

IPZHFKHGSYRBNT-DTQAZKPQSA-N

MDL Number (MFCD)

MFCD04167973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.48

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

4.891

Distribution Coefficient, logD

4.891

Water Solubility, LogSw

-4.80

Polar Surface Area

58.268

Acid Dissociation Constant (pKa)

36.90

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

6392-0888 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 6392-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0888?
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What is the minimum amount of 6392-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0888
  • 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 6392-0888 available by request