2188-2316 Screening compound: (2Z)-3-(2,5-dimethoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

2188-2316 Screening compound: (2Z)-3-(2,5-dimethoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
2188-2316 Screening compound: (2Z)-3-(2,5-dimethoxyphenyl)-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 2188-2316
(2Z)-3-(2,5-dimethoxyphenyl)-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

2188-2316

Molecular Formula

C23H16N2O4S (C23 H16 N2 O4 S)

Compound Name

(2Z)-3-(2,5-dimethoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

IUPAC name

(2Z)-3-(25-dimethoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]prop-2-enenitrile

SMILES

COc(cc1)cc(/C=C(\c2nc(C3=Cc(cccc4)c4OC3=O)cs2)/C#N)c1OC

InChI

InChI=1S/C23H16N2O4S/c1-27-17-7-8-20(28-2)15(10-17)9-16(12-24)22-25-19(13-30-22)18-11-14-5-3-4-6-21(14)29-23(18)26/h3-11,13H,1-2H3

InChI Key

DORYDPTZDXHCOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.933

Distribution Coefficient, logD

4.933

Water Solubility, LogSw

-4.89

Polar Surface Area

62.853

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2188-2316 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 2188-2316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-2316?
Check Price and Availability of 2188-2316, 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 2188-2316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-2316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-2316
  • 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 2188-2316 available by request