5286-0259 Screening compound: methyl 4-{[(2E,5E)-3-ethyl-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino}benzoate

5286-0259 Screening compound: methyl 4-{[(2E,5E)-3-ethyl-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino}benzoate
5286-0259 Screening compound: methyl 4-{[(2E,5E)-3-ethyl-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5286-0259
methyl 4-{[(2E,5E)-3-ethyl-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino}benzoate

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

5286-0259

Molecular Formula

C23H24N2O6S (C23 H24 N2 O6 S)

Compound Name

methyl 4-{[(2E,5E)-3-ethyl-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino}benzoate

IUPAC name

methyl 4-{[(2E5E)-3-ethyl-4-oxo-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-2-ylidene]amino}benzoate

SMILES

CCN(C(/C(/S1)=C\c(cc2OC)cc(OC)c2OC)=O)/C1=N\c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C23H24N2O6S/c1-6-25-21(26)19(13-14-11-17(28-2)20(30-4)18(12-14)29-3)32-23(25)24-16-9-7-15(8-10-16)22(27)31-5/h7-13H,6H2,1-5H3

InChI Key

CMYDYTAEGBHFRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03167871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.17

Polar Surface Area

69.012

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

5286-0259 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 5286-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5286-0259?
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What is the minimum amount of 5286-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5286-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5286-0259
  • 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 5286-0259 available by request