3964-0425 Screening compound: (2E,5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)imino]-3-(2-phenylethyl)-1,3-thiazolidin-4-one

3964-0425 Screening compound: (2E,5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)imino]-3-(2-phenylethyl)-1,3-thiazolidin-4-one
3964-0425 Screening compound: (2E,5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)imino]-3-(2-phenylethyl)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3964-0425
(2E,5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)imino]-3-(2-phenylethyl)-1,3-thiazolidin-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

3964-0425

Molecular Formula

C27H27N3OS (C27 H27 N3 OS)

Compound Name

(2E,5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)imino]-3-(2-phenylethyl)-1,3-thiazolidin-4-one

IUPAC name

(2E5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)imino]-3-(2-phenylethyl)-13-thiazolidin-4-one

SMILES

Cc(cc1)ccc1/N=C(\N(CCc1ccccc1)C1=O)/S/C1=C/c(cc1)ccc1N(C)C

InChI

InChI=1S/C27H27N3OS/c1-20-9-13-23(14-10-20)28-27-30(18-17-21-7-5-4-6-8-21)26(31)25(32-27)19-22-11-15-24(16-12-22)29(2)3/h4-16,19H,17-18H2,1-3H3

InChI Key

PURNNGBZHLCNJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03167827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.035

Distribution Coefficient, logD

6.035

Water Solubility, LogSw

-5.54

Polar Surface Area

27.647

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

3964-0425 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3964-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3964-0425?
Check Price and Availability of 3964-0425, 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 3964-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3964-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3964-0425
  • 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 3964-0425 available by request