4226-0861 Screening compound: (5E)-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-methylphenyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one

4226-0861 Screening compound: (5E)-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-methylphenyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one
4226-0861 Screening compound: (5E)-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-methylphenyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4226-0861
(5E)-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-methylphenyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one

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

4226-0861

Molecular Formula

C25H21Cl2N3O2S (C25 H21 Cl2 N3 O2 S)

Compound Name

(5E)-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-methylphenyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5E)-5-{[5-(25-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-methylphenyl)piperazin-1-yl]-45-dihydro-13-thiazol-4-one

SMILES

Cc(cccc1)c1N(CC1)CCN1C(S/C1=C/c2ccc(-c(cc(cc3)Cl)c3Cl)o2)=NC1=O

InChI

InChI=1S/C25H21Cl2N3O2S/c1-16-4-2-3-5-21(16)29-10-12-30(13-11-29)25-28-24(31)23(33-25)15-18-7-9-22(32-18)19-14-17(26)6-8-20(19)27/h2-9,14-15H,10-13H2,1H3

InChI Key

OBGNWBMHCJTAJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02241910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.879

Distribution Coefficient, logD

6.879

Water Solubility, LogSw

-6.34

Polar Surface Area

36.124

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4226-0861 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4226-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4226-0861?
Check Price and Availability of 4226-0861, 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 4226-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4226-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4226-0861
  • 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 4226-0861 available by request