3270-0739 Screening compound: (2E,5Z)-3-benzyl-2-(benzylimino)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

3270-0739 Screening compound: (2E,5Z)-3-benzyl-2-(benzylimino)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
3270-0739 Screening compound: (2E,5Z)-3-benzyl-2-(benzylimino)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3270-0739
(2E,5Z)-3-benzyl-2-(benzylimino)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-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

3270-0739

Molecular Formula

C26H23BrN2O3S (C26 H23 BrN2 O3 S)

Compound Name

(2E,5Z)-3-benzyl-2-(benzylimino)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(2E5Z)-3-benzyl-2-(benzylimino)-5-[(3-bromo-45-dimethoxyphenyl)methylidene]-13-thiazolidin-4-one

SMILES

COc1cc(/C=C(/C(N2Cc3ccccc3)=O)\S/C2=N/Cc2ccccc2)cc(Br)c1OC

InChI

InChI=1S/C26H23BrN2O3S/c1-31-22-14-20(13-21(27)24(22)32-2)15-23-25(30)29(17-19-11-7-4-8-12-19)26(33-23)28-16-18-9-5-3-6-10-18/h3-15H,16-17H2,1-2H3

InChI Key

KGVOUKQUCCLIMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.461

Distribution Coefficient, logD

6.461

Water Solubility, LogSw

-5.61

Polar Surface Area

40.730

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3270-0739 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 3270-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0739?
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What is the minimum amount of 3270-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0739
  • 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 3270-0739 available by request