3358-3540 Screening compound: (5E)-3-methyl-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

3358-3540 Screening compound: (5E)-3-methyl-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3358-3540 Screening compound: (5E)-3-methyl-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3358-3540
(5E)-3-methyl-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]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

3358-3540

Molecular Formula

C21H18N2O2S2 (C21 H18 N2 O2 S2)

Compound Name

(5E)-3-methyl-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-methyl-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CN(C(/C(/S1)=C\c2cn(CCOc3ccccc3)c3c2cccc3)=O)C1=S

InChI

InChI=1S/C21H18N2O2S2/c1-22-20(24)19(27-21(22)26)13-15-14-23(18-10-6-5-9-17(15)18)11-12-25-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3

InChI Key

MLWASJMNUKLFCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.13

Polar Surface Area

25.608

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3358-3540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3358-3540?
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What is the minimum amount of 3358-3540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3358-3540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3358-3540
  • 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 3358-3540 available by request