4226-0209 Screening compound: (5E)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1,3-thiazol-4-one

4226-0209 Screening compound: (5E)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1,3-thiazol-4-one
4226-0209 Screening compound: (5E)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4226-0209
(5E)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-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

4226-0209

Molecular Formula

C25H22N4O4S (C25 H22 N4 O4 S)

Compound Name

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

IUPAC name

(5E)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-45-dihydro-13-thiazol-4-one

SMILES

Cc(cc1)ccc1N(CC1)CCN1C(S/C1=C/c2ccc(-c3cc([N+]([O-])=O)ccc3)o2)=NC1=O

InChI

InChI=1S/C25H22N4O4S/c1-17-5-7-19(8-6-17)27-11-13-28(14-12-27)25-26-24(30)23(34-25)16-21-9-10-22(33-21)18-3-2-4-20(15-18)29(31)32/h2-10,15-16H,11-14H2,1H3

InChI Key

CESUGNHAYFGNMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02234464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.542

Distribution Coefficient, logD

5.541

Water Solubility, LogSw

-5.46

Polar Surface Area

69.807

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4226-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4226-0209?
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What is the minimum amount of 4226-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4226-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4226-0209
  • 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 4226-0209 available by request