6371-0085 Screening compound: (2E,5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

6371-0085 Screening compound: (2E,5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
6371-0085 Screening compound: (2E,5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6371-0085
(2E,5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[2-(4-methylphenyl)-2-oxoethylidene]-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

6371-0085

Molecular Formula

C21H20N2O2S (C21 H20 N2 O2 S)

Compound Name

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

IUPAC name

(2E5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[2-(4-methylphenyl)-2-oxoethylidene]-13-thiazolidin-4-one

SMILES

Cc(cc1)ccc1C(/C=C(\NC1=O)/S/C1=C\c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C21H20N2O2S/c1-14-4-8-16(9-5-14)18(24)13-20-22-21(25)19(26-20)12-15-6-10-17(11-7-15)23(2)3/h4-13H,1-3H3,(H,22,25)

InChI Key

PTPIDVRZVKAMBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.15

Polar Surface Area

40.064

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6371-0085 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6371-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6371-0085?
Check Price and Availability of 6371-0085, 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 6371-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6371-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6371-0085
  • 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 6371-0085 available by request