6392-0082 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

6392-0082 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
6392-0082 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0082
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-bromophenoxy)-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

6392-0082

Molecular Formula

C24H13BrN4O2S (C24 H13 BrN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

N#C/C(/c1nc(cccc2)c2s1)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cc1)ccc1Br

InChI

InChI=1S/C24H13BrN4O2S/c25-16-8-10-17(11-9-16)31-22-18(24(30)29-12-4-3-7-21(29)28-22)13-15(14-26)23-27-19-5-1-2-6-20(19)32-23/h1-13H

InChI Key

ZZAZSURPUQVJDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04192671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.36

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

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.73

Polar Surface Area

59.247

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6392-0082 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 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 6392-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0082?
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What is the minimum amount of 6392-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0082
  • 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 6392-0082 available by request