5595-0049 Screening compound: (5Z)-5-{[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

5595-0049 Screening compound: (5Z)-5-{[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
5595-0049 Screening compound: (5Z)-5-{[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5595-0049
(5Z)-5-{[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-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

5595-0049

Molecular Formula

C27H20FNO3S2 (C27 H20 FNO3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(Oc1c(C2c(cc3)ccc3F)cccc1)=C2/C=C(/C(N1)=O)\SC1=S

InChI

InChI=1S/C27H20FNO3S2/c1-2-31-19-13-9-17(10-14-19)25-21(15-23-26(30)29-27(33)34-23)24(16-7-11-18(28)12-8-16)20-5-3-4-6-22(20)32-25/h3-15,24H,2H2,1H3,(H,29,30,33)/t24-/m0/s1

InChI Key

PHAYKRVRSAYQGZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01827652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.456

Distribution Coefficient, logD

3.179

Water Solubility, LogSw

-5.59

Polar Surface Area

38.645

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

5595-0049 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5595-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5595-0049?
Check Price and Availability of 5595-0049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5595-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5595-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5595-0049
  • 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 5595-0049 available by request