Y504-4891 Screening compound: 3-({(E)-1-[4-(benzyloxy)phenyl]methylidene}amino)-2-thioxo-1,3-thiazolan-4-one

Y504-4891 Screening compound: 3-({(E)-1-[4-(benzyloxy)phenyl]methylidene}amino)-2-thioxo-1,3-thiazolan-4-one
Y504-4891 Screening compound: 3-({(E)-1-[4-(benzyloxy)phenyl]methylidene}amino)-2-thioxo-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-4891
3-({(E)-1-[4-(benzyloxy)phenyl]methylidene}amino)-2-thioxo-1,3-thiazolan-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

Y504-4891

Molecular Formula

C17H14N2O2S2 (C17 H14 N2 O2 S2)

Compound Name

3-({(E)-1-[4-(benzyloxy)phenyl]methylidene}amino)-2-thioxo-1,3-thiazolan-4-one

IUPAC name

n/a

SMILES

O=C(CSC1=S)N1/N=C/c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C17H14N2O2S2/c20-16-12-23-17(22)19(16)18-10-13-6-8-15(9-7-13)21-11-14-4-2-1-3-5-14/h1-10H,11-12H2

InChI Key

JZKSQTXJCLRGPV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.26

Polar Surface Area

34.635

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with Y504-4891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-4891?
Check Price and Availability of Y504-4891, 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 Y504-4891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-4891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-4891
  • 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 Y504-4891 available by request