1246-0681 Screening compound: (2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)-3-(4-iodophenyl)prop-2-enenitrile

1246-0681 Screening compound: (2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)-3-(4-iodophenyl)prop-2-enenitrile
1246-0681 Screening compound: (2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)-3-(4-iodophenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0681
(2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)-3-(4-iodophenyl)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

1246-0681

Molecular Formula

C24H15IN2S (C24 H15 IN2 S)

Compound Name

(2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)-3-(4-iodophenyl)prop-2-enenitrile

IUPAC name

(2E)-2-(4-{[11'-biphenyl]-4-yl}-13-thiazol-2-yl)-3-(4-iodophenyl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c(cc1)ccc1I

InChI

InChI=1S/C24H15IN2S/c25-22-12-6-17(7-13-22)14-21(15-26)24-27-23(16-28-24)20-10-8-19(9-11-20)18-4-2-1-3-5-18/h1-14,16H

InChI Key

FOGBBRLTRXCIEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00811785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

8.367

Distribution Coefficient, logD

8.367

Water Solubility, LogSw

-6.82

Polar Surface Area

26.485

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1246-0681 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1246-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0681?
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What is the minimum amount of 1246-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0681
  • 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 1246-0681 available by request