1711-1489 Screening compound: (2E)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)-3-phenylprop-2-enenitrile

1711-1489 Screening compound: (2E)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)-3-phenylprop-2-enenitrile
1711-1489 Screening compound: (2E)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)-3-phenylprop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1711-1489
(2E)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)-3-phenylprop-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

1711-1489

Molecular Formula

C25H14N2O2S (C25 H14 N2 O2 S)

Compound Name

(2E)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-1,3-thiazol-2-yl)-3-phenylprop-2-enenitrile

IUPAC name

(2E)-2-(4-{3-oxo-3H-benzo[f]chromen-2-yl}-13-thiazol-2-yl)-3-phenylprop-2-enenitrile

SMILES

N#C/C(/c1nc(C2=Cc(c3ccccc3cc3)c3OC2=O)cs1)=C\c1ccccc1

InChI

InChI=1S/C25H14N2O2S/c26-14-18(12-16-6-2-1-3-7-16)24-27-22(15-30-24)21-13-20-19-9-5-4-8-17(19)10-11-23(20)29-25(21)28/h1-13,15H

InChI Key

DZWQIKKIPWHTMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

6.014

Water Solubility, LogSw

-7.15

Polar Surface Area

47.407

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1711-1489 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1711-1489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1711-1489?
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What is the minimum amount of 1711-1489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1711-1489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1711-1489
  • 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 1711-1489 available by request