1246-0759 Screening compound: (2E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

1246-0759 Screening compound: (2E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
1246-0759 Screening compound: (2E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0759
(2E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-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

1246-0759

Molecular Formula

C16H9BrN2OS (C16 H9 BrN2 OS)

Compound Name

(2E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(5-bromofuran-2-yl)-2-(4-phenyl-13-thiazol-2-yl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c2ccccc2)cs1)=C\c(o1)ccc1Br

InChI

InChI=1S/C16H9BrN2OS/c17-15-7-6-13(20-15)8-12(9-18)16-19-14(10-21-16)11-4-2-1-3-5-11/h1-8,10H

InChI Key

QSSJLRJJVFMUTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00419334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.87

Polar Surface Area

34.853

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1246-0759 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1246-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0759?
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What is the minimum amount of 1246-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0759
  • 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 1246-0759 available by request