5595-0064 Screening compound: (5Z)-5-{[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

5595-0064 Screening compound: (5Z)-5-{[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
5595-0064 Screening compound: (5Z)-5-{[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5595-0064
(5Z)-5-{[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-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

5595-0064

Molecular Formula

C26H19NO3S2 (C26 H19 NO3 S2)

Compound Name

(5Z)-5-{[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[2-(4-methoxyphenyl)-4-phenyl-4H-chromen-3-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc(cc1)ccc1C(Oc1c(C2c3ccccc3)cccc1)=C2/C=C(/C(N1)=O)\SC1=S

InChI

InChI=1S/C26H19NO3S2/c1-29-18-13-11-17(12-14-18)24-20(15-22-25(28)27-26(31)32-22)23(16-7-3-2-4-8-16)19-9-5-6-10-21(19)30-24/h2-15,23H,1H3,(H,27,28,31)/t23-/m0/s1

InChI Key

YLGGDAUKVCWTPA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02209648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

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

5.045

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-4.77

Polar Surface Area

39.065

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 5595-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5595-0064?
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What is the minimum amount of 5595-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5595-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5595-0064
  • 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 5595-0064 available by request