2389-1505 Screening compound: N-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide

2389-1505 Screening compound: N-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide
2389-1505 Screening compound: N-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-1505
N-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide

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

2389-1505

Molecular Formula

C18H12ClFN2O2S2 (C18 H12 ClFN2 O2 S2)

Compound Name

N-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide

IUPAC name

N-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-2-methylbenzamide

SMILES

Cc(cccc1)c1C(NN(C(/C(/S1)=C/c(c(F)ccc2)c2Cl)=O)C1=S)=O

InChI

InChI=1S/C18H12ClFN2O2S2/c1-10-5-2-3-6-11(10)16(23)21-22-17(24)15(26-18(22)25)9-12-13(19)7-4-8-14(12)20/h2-9H,1H3,(H,21,23)

InChI Key

XELZGCLFAOMWJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

3.602

Water Solubility, LogSw

-4.22

Polar Surface Area

42.844

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

2389-1505 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 2389-1505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-1505?
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What is the minimum amount of 2389-1505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-1505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-1505
  • 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 2389-1505 available by request