4296-0232 Screening compound: (2Z)-3-[4-(diethylamino)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

4296-0232 Screening compound: (2Z)-3-[4-(diethylamino)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
4296-0232 Screening compound: (2Z)-3-[4-(diethylamino)phenyl]-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 4296-0232
(2Z)-3-[4-(diethylamino)phenyl]-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

4296-0232

Molecular Formula

C25H21N3O2S (C25 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1ccc(/C=C(\c2nc(C3=Cc(cccc4)c4OC3=O)cs2)/C#N)cc1

InChI

InChI=1S/C25H21N3O2S/c1-3-28(4-2)20-11-9-17(10-12-20)13-19(15-26)24-27-22(16-31-24)21-14-18-7-5-6-8-23(18)30-25(21)29/h5-14,16H,3-4H2,1-2H3

InChI Key

FSHZAQGFLSNUJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02708699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.684

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-5.64

Polar Surface Area

50.415

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

4296-0232 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4296-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0232?
Check Price and Availability of 4296-0232, 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 4296-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0232
  • 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 4296-0232 available by request