1503-0041 Screening compound: (5E)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

1503-0041 Screening compound: (5E)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
1503-0041 Screening compound: (5E)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0041
(5E)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-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

1503-0041

Molecular Formula

C21H14ClNO2S2 (C21 H14 ClNO2 S2)

Compound Name

(5E)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc(cc1)ccc1N(C(/C(/S1)=C\c2ccc(-c(cccc3)c3Cl)o2)=O)C1=S

InChI

InChI=1S/C21H14ClNO2S2/c1-13-6-8-14(9-7-13)23-20(24)19(27-21(23)26)12-15-10-11-18(25-15)16-4-2-3-5-17(16)22/h2-12H,1H3

InChI Key

JELHFTFGKROALM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00695734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.044

Distribution Coefficient, logD

6.044

Water Solubility, LogSw

-5.93

Polar Surface Area

23.401

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1503-0041 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 1503-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1503-0041?
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What is the minimum amount of 1503-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0041
  • 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 1503-0041 available by request