0806-0236 Screening compound: (5E)-3-phenyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

0806-0236 Screening compound: (5E)-3-phenyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
0806-0236 Screening compound: (5E)-3-phenyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0806-0236
(5E)-3-phenyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)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

0806-0236

Molecular Formula

C19H17NO4S2 (C19 H17 NO4 S2)

Compound Name

(5E)-3-phenyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-phenyl-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-4-one

SMILES

COc1cc(/C=C(\C(N2c3ccccc3)=O)/SC2=S)cc(OC)c1OC

InChI

InChI=1S/C19H17NO4S2/c1-22-14-9-12(10-15(23-2)17(14)24-3)11-16-18(21)20(19(25)26-16)13-7-5-4-6-8-13/h4-11H,1-3H3

InChI Key

UOLABPWWTVGMJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00650456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-3.80

Polar Surface Area

38.809

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

0806-0236 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0806-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0806-0236?
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What is the minimum amount of 0806-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0806-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0806-0236
  • 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 0806-0236 available by request