3270-0946 Screening compound: (2E,5Z)-3-cyclohexyl-5-[(3-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-1,3-thiazolidin-4-one

3270-0946 Screening compound: (2E,5Z)-3-cyclohexyl-5-[(3-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-1,3-thiazolidin-4-one
3270-0946 Screening compound: (2E,5Z)-3-cyclohexyl-5-[(3-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3270-0946
(2E,5Z)-3-cyclohexyl-5-[(3-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-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

3270-0946

Molecular Formula

C27H26N2O2S (C27 H26 N2 O2 S)

Compound Name

(2E,5Z)-3-cyclohexyl-5-[(3-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-1,3-thiazolidin-4-one

IUPAC name

(2E5Z)-3-cyclohexyl-5-[(3-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)imino]-13-thiazolidin-4-one

SMILES

COc1cccc(/C=C(/C(N2C3CCCCC3)=O)\S/C2=N/c2cc3ccccc3cc2)c1

InChI

InChI=1S/C27H26N2O2S/c1-31-24-13-7-8-19(16-24)17-25-26(30)29(23-11-3-2-4-12-23)27(32-25)28-22-15-14-20-9-5-6-10-21(20)18-22/h5-10,13-18,23H,2-4,11-12H2,1H3

InChI Key

PTZPIXCZGJHVMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02044440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.000

Distribution Coefficient, logD

7.000

Water Solubility, LogSw

-6.50

Polar Surface Area

31.358

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

-5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

3270-0946 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 3270-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0946?
Check Price and Availability of 3270-0946, 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 3270-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0946
  • 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 3270-0946 available by request