2188-1731 Screening compound: (2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

2188-1731 Screening compound: (2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
2188-1731 Screening compound: (2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1731
(2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-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

2188-1731

Molecular Formula

C22H14N2O4S (C22 H14 N2 O4 S)

Compound Name

(2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

IUPAC name

(2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]prop-2-enenitrile

SMILES

COc(cc(/C=C(\c1nc(C2=Cc(cccc3)c3OC2=O)cs1)/C#N)cc1)c1O

InChI

InChI=1S/C22H14N2O4S/c1-27-20-9-13(6-7-18(20)25)8-15(11-23)21-24-17(12-29-21)16-10-14-4-2-3-5-19(14)28-22(16)26/h2-10,12,25H,1H3

InChI Key

WIPGDUPHSWEFEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.050

Water Solubility, LogSw

-4.08

Polar Surface Area

71.857

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2188-1731 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 2188-1731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1731?
Check Price and Availability of 2188-1731, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2188-1731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1731
  • 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 2188-1731 available by request