1503-0095 Screening compound: (5Z)-3-(4-methylphenyl)-5-[(4-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

1503-0095 Screening compound: (5Z)-3-(4-methylphenyl)-5-[(4-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1503-0095 Screening compound: (5Z)-3-(4-methylphenyl)-5-[(4-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0095
(5Z)-3-(4-methylphenyl)-5-[(4-phenoxyphenyl)methylidene]-2-sulfanylidene-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

1503-0095

Molecular Formula

C23H17NO2S2 (C23 H17 NO2 S2)

Compound Name

(5Z)-3-(4-methylphenyl)-5-[(4-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-(4-methylphenyl)-5-[(4-phenoxyphenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc(cc1)ccc1N(C(/C(/S1)=C/c(cc2)ccc2Oc2ccccc2)=O)C1=S

InChI

InChI=1S/C23H17NO2S2/c1-16-7-11-18(12-8-16)24-22(25)21(28-23(24)27)15-17-9-13-20(14-10-17)26-19-5-3-2-4-6-19/h2-15H,1H3

InChI Key

VPCCMBDCMUWROO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00790530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.059

Distribution Coefficient, logD

6.059

Water Solubility, LogSw

-5.64

Polar Surface Area

22.579

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1503-0095 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 1503-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1503-0095?
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What is the minimum amount of 1503-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0095
  • 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 1503-0095 available by request