3229-2495 Screening compound: 2-(2-methoxy-4-{[(2E,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

3229-2495 Screening compound: 2-(2-methoxy-4-{[(2E,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile
3229-2495 Screening compound: 2-(2-methoxy-4-{[(2E,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2495
2-(2-methoxy-4-{[(2E,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

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

3229-2495

Molecular Formula

C19H15N3O3S (C19 H15 N3 O3 S)

Compound Name

2-(2-methoxy-4-{[(2E,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

IUPAC name

2-(2-methoxy-4-{[(2E5E)-4-oxo-2-(phenylimino)-13-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

SMILES

COc(cc(/C=C(\C(N1)=O)/S/C1=N/c1ccccc1)cc1)c1OCC#N

InChI

InChI=1S/C19H15N3O3S/c1-24-16-11-13(7-8-15(16)25-10-9-20)12-17-18(23)22-19(26-17)21-14-5-3-2-4-6-14/h2-8,11-12H,10H2,1H3,(H,21,22,23)

InChI Key

URCNGHHTNFGKDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01038243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.226

Distribution Coefficient, logD

2.226

Water Solubility, LogSw

-2.98

Polar Surface Area

65.779

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

3229-2495 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 3229-2495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2495?
Check Price and Availability of 3229-2495, 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 3229-2495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2495
  • 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 3229-2495 available by request